REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mxl_1_D DATA FIRST_RESID 1 DATA SEQUENCE MAADLRAPLT PAGRTVVDLL AGVIPRISAE AADRDRTGTF PVEAFEQFAK DATA SEQUENCE LGLMGATVPA ELGGLGLTRL YDVATALMRL AEADASTALA WHVQLSRGLT DATA SEQUENCE LTYEWQHGTP PVRAMAERLL RAMAEGEAAV CGALKDAPGV VTELHSDGAG DATA SEQUENCE GWLLSGRKVL VSMAPIATHF FVHAQRRDDD GSVFLAVPVV HRDAPGLTVL DATA SEQUENCE DNWDGLGMRA SGTLEVVFDR CPVRAXXLLE RGPVGARRDA VLAGQTVSSI DATA SEQUENCE TMLGIYAGIA QAARDIAVGF CAGRGGEPRA GARALVAGLD TRLYALRTTV DATA SEQUENCE GAALTNADAA SVDLSXDPDE RGRRMMTPFQ YAKMTVNELA PAVVDDCLSL DATA SEQUENCE VGGLAYTAGH PLSRLYRDVR AGGFMQPYSY VDAVDYLSGQ ALGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 A N -0.232 122.594 122.820 0.010 0.000 1.761 2 A HA 0.871 5.191 4.320 0.000 0.000 0.168 2 A C 1.064 178.663 177.584 0.025 0.000 1.884 2 A CA 0.923 52.986 52.037 0.043 0.000 1.217 2 A CB -0.464 18.580 19.000 0.073 0.000 0.934 2 A HN 1.239 nan 8.150 nan 0.000 0.682 3 A N 0.325 123.149 122.820 0.007 0.000 3.095 3 A HA -0.071 4.249 4.320 0.000 0.000 0.248 3 A C -0.045 177.591 177.584 0.087 0.000 1.369 3 A CA 1.512 53.532 52.037 -0.028 0.000 0.843 3 A CB -2.379 16.574 19.000 -0.078 0.000 1.064 3 A HN 1.269 nan 8.150 nan 0.000 0.636 4 D N -0.935 119.560 120.400 0.158 0.000 2.740 4 D HA 0.387 5.027 4.640 0.000 0.000 0.301 4 D C 0.526 176.893 176.300 0.112 0.000 1.408 4 D CA 0.108 54.164 54.000 0.093 0.000 0.808 4 D CB -1.118 39.699 40.800 0.028 0.000 1.128 4 D HN 1.098 nan 8.370 nan 0.000 0.465 5 L N -0.629 120.706 121.223 0.188 0.000 3.678 5 L HA -0.299 4.042 4.340 0.000 0.000 0.425 5 L C 1.398 178.279 176.870 0.019 0.000 1.240 5 L CA 0.030 54.850 54.840 -0.033 0.000 0.876 5 L CB -0.997 40.993 42.059 -0.116 0.000 1.766 5 L HN 0.108 nan 8.230 nan 0.000 0.917 6 R N 0.866 121.421 120.500 0.092 0.000 2.090 6 R HA 0.451 4.791 4.340 0.000 0.000 0.219 6 R C 0.573 176.911 176.300 0.064 0.000 1.100 6 R CA 1.544 57.690 56.100 0.076 0.000 0.991 6 R CB 0.386 30.742 30.300 0.093 0.000 0.893 6 R HN 0.538 nan 8.270 nan 0.000 0.443 7 A N 0.465 123.339 122.820 0.089 0.000 2.574 7 A HA 0.596 4.916 4.320 0.000 0.000 0.297 7 A C -2.742 174.911 177.584 0.115 0.000 1.062 7 A CA -1.474 50.610 52.037 0.077 0.000 0.686 7 A CB 1.396 20.439 19.000 0.072 0.000 1.285 7 A HN 0.070 nan 8.150 nan 0.000 0.403 8 P HA 0.329 nan 4.420 nan 0.000 0.272 8 P C -0.077 177.303 177.300 0.133 0.000 1.230 8 P CA -0.156 63.010 63.100 0.109 0.000 0.788 8 P CB 0.849 32.584 31.700 0.058 0.000 0.949 9 L N 0.153 121.470 121.223 0.156 0.000 2.296 9 L HA 0.153 4.493 4.340 0.000 0.000 0.193 9 L C 1.631 178.542 176.870 0.069 0.000 1.123 9 L CA 1.321 56.222 54.840 0.101 0.000 0.805 9 L CB -1.521 40.588 42.059 0.083 0.000 1.004 9 L HN 0.401 nan 8.230 nan 0.000 0.478 10 T N 2.598 117.194 114.554 0.069 0.000 2.933 10 T HA 0.003 4.353 4.350 0.000 0.000 0.306 10 T C -1.418 173.310 174.700 0.047 0.000 1.045 10 T CA -0.962 61.168 62.100 0.051 0.000 1.143 10 T CB 0.606 69.503 68.868 0.049 0.000 1.003 10 T HN 0.087 nan 8.240 nan 0.000 0.540 11 P HA -0.034 nan 4.420 nan 0.000 0.220 11 P C 1.242 178.565 177.300 0.038 0.000 1.148 11 P CA 1.052 64.174 63.100 0.037 0.000 0.803 11 P CB -0.050 31.669 31.700 0.031 0.000 0.782 12 A N 0.699 123.542 122.820 0.039 0.000 1.898 12 A HA -0.007 4.313 4.320 0.000 0.000 0.216 12 A C 2.547 180.157 177.584 0.043 0.000 1.181 12 A CA 1.874 53.934 52.037 0.039 0.000 0.620 12 A CB -1.767 17.255 19.000 0.037 0.000 0.819 12 A HN 0.326 nan 8.150 nan 0.000 0.442 13 G N -1.467 107.359 108.800 0.044 0.000 2.712 13 G HA2 -0.007 3.953 3.960 0.000 0.000 0.212 13 G HA3 -0.007 3.953 3.960 0.000 0.000 0.212 13 G C 1.516 176.447 174.900 0.052 0.000 1.142 13 G CA 0.687 45.815 45.100 0.045 0.000 0.789 13 G HN 0.461 nan 8.290 nan 0.000 0.535 14 R N 0.192 120.722 120.500 0.050 0.000 2.193 14 R HA 0.059 4.399 4.340 0.000 0.000 0.213 14 R C 2.227 178.556 176.300 0.048 0.000 1.055 14 R CA 1.400 57.529 56.100 0.048 0.000 0.995 14 R CB -0.416 29.910 30.300 0.043 0.000 0.893 14 R HN 0.207 nan 8.270 nan 0.000 0.459 15 T N -0.805 113.778 114.554 0.049 0.000 3.014 15 T HA 0.018 4.369 4.350 0.000 0.000 0.263 15 T C 1.477 176.216 174.700 0.064 0.000 1.078 15 T CA 1.047 63.176 62.100 0.049 0.000 1.135 15 T CB 0.166 69.061 68.868 0.045 0.000 0.895 15 T HN 0.001 nan 8.240 nan 0.000 0.480 16 V N 1.182 121.145 119.914 0.081 0.000 2.591 16 V HA -0.045 4.075 4.120 0.000 0.000 0.249 16 V C 2.581 178.752 176.094 0.128 0.000 1.053 16 V CA 0.785 63.158 62.300 0.122 0.000 1.068 16 V CB -0.677 31.236 31.823 0.150 0.000 0.689 16 V HN 0.309 nan 8.190 nan 0.000 0.462 17 V N 2.328 122.299 119.914 0.096 0.000 2.307 17 V HA -0.241 3.879 4.120 0.000 0.000 0.245 17 V C 2.343 178.473 176.094 0.060 0.000 1.045 17 V CA 2.313 64.664 62.300 0.084 0.000 1.024 17 V CB -0.948 30.912 31.823 0.061 0.000 0.651 17 V HN 0.832 nan 8.190 nan 0.000 0.449 18 D N 0.144 120.572 120.400 0.046 0.000 2.224 18 D HA -0.135 4.505 4.640 0.000 0.000 0.205 18 D C 1.922 178.234 176.300 0.020 0.000 0.965 18 D CA 0.965 54.982 54.000 0.029 0.000 0.852 18 D CB -0.429 40.386 40.800 0.024 0.000 0.947 18 D HN 0.381 nan 8.370 nan 0.000 0.494 19 L N -0.510 120.732 121.223 0.031 0.000 2.217 19 L HA 0.002 4.342 4.340 0.000 0.000 0.211 19 L C 2.088 178.959 176.870 0.002 0.000 1.107 19 L CA 0.355 55.206 54.840 0.019 0.000 0.783 19 L CB -0.184 41.900 42.059 0.041 0.000 0.919 19 L HN 0.165 nan 8.230 nan 0.000 0.442 20 L N -0.209 121.028 121.223 0.024 0.000 2.270 20 L HA 0.071 4.411 4.340 0.000 0.000 0.210 20 L C 2.556 179.412 176.870 -0.023 0.000 1.104 20 L CA 1.341 56.184 54.840 0.004 0.000 0.804 20 L CB -0.466 41.621 42.059 0.046 0.000 0.937 20 L HN 0.088 nan 8.230 nan 0.000 0.450 21 A N -0.528 122.288 122.820 -0.007 0.000 2.076 21 A HA -0.105 4.216 4.320 0.000 0.000 0.220 21 A C 2.198 179.758 177.584 -0.040 0.000 1.160 21 A CA 1.486 53.514 52.037 -0.015 0.000 0.653 21 A CB -1.264 17.735 19.000 -0.002 0.000 0.801 21 A HN 0.506 nan 8.150 nan 0.000 0.455 22 G N -1.519 107.246 108.800 -0.058 0.000 2.551 22 G HA2 0.154 4.114 3.960 0.000 0.000 0.216 22 G HA3 0.154 4.114 3.960 0.000 0.000 0.216 22 G C 1.116 175.941 174.900 -0.124 0.000 1.137 22 G CA 1.040 46.092 45.100 -0.080 0.000 0.798 22 G HN 0.346 nan 8.290 nan 0.000 0.536 23 V N 1.196 121.011 119.914 -0.164 0.000 3.644 23 V HA 0.131 4.251 4.120 0.000 0.000 0.267 23 V C 2.425 178.411 176.094 -0.179 0.000 1.277 23 V CA -0.153 61.998 62.300 -0.248 0.000 1.096 23 V CB 0.100 31.640 31.823 -0.471 0.000 0.828 23 V HN 0.171 nan 8.190 nan 0.000 0.446 24 I N 1.839 122.344 120.570 -0.109 0.000 2.099 24 I HA -0.127 4.043 4.170 0.000 0.000 0.239 24 I C 0.531 176.609 176.117 -0.064 0.000 1.066 24 I CA 2.017 63.276 61.300 -0.067 0.000 1.324 24 I CB -2.437 35.543 38.000 -0.033 0.000 1.037 24 I HN 0.317 nan 8.210 nan 0.000 0.401 25 P HA -0.232 nan 4.420 nan 0.000 0.215 25 P C 1.704 178.967 177.300 -0.062 0.000 1.157 25 P CA 2.918 65.988 63.100 -0.051 0.000 0.874 25 P CB -0.316 31.355 31.700 -0.047 0.000 0.790 26 R N -0.093 120.354 120.500 -0.087 0.000 2.091 26 R HA -0.149 4.191 4.340 0.000 0.000 0.238 26 R C 2.261 178.505 176.300 -0.093 0.000 1.136 26 R CA 2.044 58.086 56.100 -0.097 0.000 0.959 26 R CB -2.173 28.047 30.300 -0.134 0.000 0.856 26 R HN 0.253 nan 8.270 nan 0.000 0.437 27 I N -0.090 120.418 120.570 -0.104 0.000 2.716 27 I HA 0.058 4.228 4.170 0.000 0.000 0.259 27 I C 2.434 178.522 176.117 -0.048 0.000 1.172 27 I CA 1.406 62.655 61.300 -0.086 0.000 1.478 27 I CB 0.053 37.993 38.000 -0.100 0.000 1.104 27 I HN 0.347 nan 8.210 nan 0.000 0.439 28 S N 0.068 115.745 115.700 -0.039 0.000 2.447 28 S HA -0.026 4.444 4.470 0.000 0.000 0.233 28 S C 2.157 176.748 174.600 -0.015 0.000 1.006 28 S CA 1.122 59.311 58.200 -0.018 0.000 0.957 28 S CB -0.279 62.913 63.200 -0.014 0.000 0.773 28 S HN 0.537 nan 8.310 nan 0.000 0.507 29 A N 0.947 123.752 122.820 -0.025 0.000 1.935 29 A HA 0.172 4.493 4.320 0.000 0.000 0.214 29 A C 1.889 179.463 177.584 -0.018 0.000 1.178 29 A CA 0.840 52.864 52.037 -0.021 0.000 0.640 29 A CB -0.378 18.606 19.000 -0.027 0.000 0.825 29 A HN 0.629 nan 8.150 nan 0.000 0.447 30 E N 0.115 120.301 120.200 -0.024 0.000 2.482 30 E HA 0.098 4.448 4.350 0.000 0.000 0.196 30 E C 2.049 178.646 176.600 -0.005 0.000 1.047 30 E CA 0.345 56.735 56.400 -0.018 0.000 0.869 30 E CB -0.151 29.532 29.700 -0.030 0.000 0.836 30 E HN 0.604 nan 8.360 nan 0.000 0.520 31 A N 1.968 124.787 122.820 -0.002 0.000 1.869 31 A HA -0.267 4.054 4.320 0.000 0.000 0.218 31 A C 2.462 180.061 177.584 0.024 0.000 1.203 31 A CA 2.071 54.117 52.037 0.014 0.000 0.638 31 A CB -0.839 18.172 19.000 0.018 0.000 0.831 31 A HN 0.330 nan 8.150 nan 0.000 0.450 32 A N -0.232 122.600 122.820 0.019 0.000 1.908 32 A HA -0.213 4.107 4.320 0.000 0.000 0.218 32 A C 1.724 179.321 177.584 0.020 0.000 1.181 32 A CA 2.225 54.275 52.037 0.021 0.000 0.627 32 A CB -0.822 18.185 19.000 0.013 0.000 0.818 32 A HN 0.557 nan 8.150 nan 0.000 0.445 33 D N -0.726 119.682 120.400 0.014 0.000 2.084 33 D HA -0.098 4.542 4.640 0.000 0.000 0.196 33 D C 2.209 178.524 176.300 0.025 0.000 0.985 33 D CA 1.350 55.359 54.000 0.015 0.000 0.826 33 D CB -0.263 40.542 40.800 0.008 0.000 0.978 33 D HN 0.406 nan 8.370 nan 0.000 0.456 34 R N 0.190 120.708 120.500 0.028 0.000 2.127 34 R HA -0.126 4.214 4.340 0.000 0.000 0.238 34 R C 1.650 177.989 176.300 0.065 0.000 1.134 34 R CA 1.337 57.464 56.100 0.045 0.000 0.975 34 R CB -0.214 30.109 30.300 0.038 0.000 0.865 34 R HN 0.262 nan 8.270 nan 0.000 0.447 35 D N 0.375 120.810 120.400 0.059 0.000 2.123 35 D HA -0.128 4.512 4.640 0.000 0.000 0.200 35 D C 2.041 178.371 176.300 0.050 0.000 0.976 35 D CA 0.925 54.966 54.000 0.068 0.000 0.831 35 D CB 0.160 40.998 40.800 0.063 0.000 0.974 35 D HN 0.008 nan 8.370 nan 0.000 0.469 36 R N -0.684 119.836 120.500 0.035 0.000 2.081 36 R HA -0.118 4.223 4.340 0.000 0.000 0.235 36 R C 2.148 178.461 176.300 0.022 0.000 1.131 36 R CA 1.962 58.075 56.100 0.021 0.000 0.960 36 R CB -0.299 30.010 30.300 0.014 0.000 0.856 36 R HN 0.381 nan 8.270 nan 0.000 0.436 37 T N -3.935 110.638 114.554 0.032 0.000 2.976 37 T HA 0.139 4.490 4.350 0.000 0.000 0.257 37 T C 1.174 175.905 174.700 0.050 0.000 1.051 37 T CA 0.610 62.731 62.100 0.035 0.000 1.141 37 T CB 0.205 69.096 68.868 0.038 0.000 0.881 37 T HN 0.369 nan 8.240 nan 0.000 0.461 38 G N 2.132 110.976 108.800 0.073 0.000 2.370 38 G HA2 -0.088 3.873 3.960 0.000 0.000 0.268 38 G HA3 -0.088 3.873 3.960 0.000 0.000 0.268 38 G C -0.007 174.978 174.900 0.142 0.000 1.122 38 G CA 0.011 45.177 45.100 0.111 0.000 0.963 38 G HN 1.272 nan 8.290 nan 0.000 0.500 39 T N -1.779 112.858 114.554 0.138 0.000 2.809 39 T HA 0.612 4.962 4.350 0.000 0.000 0.284 39 T C -0.001 174.816 174.700 0.195 0.000 0.992 39 T CA -0.922 61.272 62.100 0.157 0.000 0.957 39 T CB 1.780 70.711 68.868 0.105 0.000 0.942 39 T HN 1.095 nan 8.240 nan 0.000 0.439 40 F N 6.178 126.185 119.950 0.094 0.000 2.607 40 F HA 0.295 4.822 4.527 0.000 0.000 0.374 40 F C -1.558 174.306 175.800 0.107 0.000 1.104 40 F CA -1.736 56.324 58.000 0.101 0.000 1.296 40 F CB 0.733 39.774 39.000 0.069 0.000 1.085 40 F HN 0.430 nan 8.300 nan 0.000 0.584 41 P HA 0.036 nan 4.420 nan 0.000 0.237 41 P C 0.801 177.959 177.300 -0.237 0.000 1.788 41 P CA 0.138 63.056 63.100 -0.303 0.000 1.061 41 P CB 0.240 31.788 31.700 -0.253 0.000 1.967 42 V N 2.719 122.633 119.914 0.001 0.000 2.231 42 V HA -0.262 3.858 4.120 0.000 0.000 0.248 42 V C 2.798 178.962 176.094 0.117 0.000 1.054 42 V CA 2.451 64.848 62.300 0.162 0.000 1.015 42 V CB -1.022 30.908 31.823 0.179 0.000 0.638 42 V HN 0.412 nan 8.190 nan 0.000 0.444 43 E N 1.571 121.802 120.200 0.052 0.000 2.204 43 E HA -0.144 4.206 4.350 0.000 0.000 0.194 43 E C 2.055 178.637 176.600 -0.029 0.000 0.989 43 E CA 1.622 58.033 56.400 0.018 0.000 0.824 43 E CB -0.389 29.308 29.700 -0.004 0.000 0.756 43 E HN 0.530 nan 8.360 nan 0.000 0.477 44 A N 0.313 123.100 122.820 -0.054 0.000 2.014 44 A HA 0.015 4.335 4.320 0.000 0.000 0.218 44 A C 1.835 179.310 177.584 -0.182 0.000 1.163 44 A CA 0.680 52.626 52.037 -0.153 0.000 0.652 44 A CB -0.626 18.286 19.000 -0.148 0.000 0.808 44 A HN 0.244 nan 8.150 nan 0.000 0.449 45 F N 1.046 120.949 119.950 -0.077 0.000 2.270 45 F HA -0.004 4.523 4.527 0.000 0.000 0.295 45 F C 2.383 178.294 175.800 0.185 0.000 1.087 45 F CA 1.377 59.475 58.000 0.163 0.000 1.365 45 F CB -0.075 38.981 39.000 0.093 0.000 1.056 45 F HN 0.518 nan 8.300 nan 0.000 0.506 46 E N -0.359 120.016 120.200 0.291 0.000 2.338 46 E HA -0.275 4.075 4.350 0.000 0.000 0.197 46 E C 1.877 178.517 176.600 0.067 0.000 1.007 46 E CA 1.013 57.527 56.400 0.190 0.000 0.849 46 E CB -0.697 29.073 29.700 0.117 0.000 0.774 46 E HN 0.560 nan 8.360 nan 0.000 0.506 47 Q N -0.355 119.397 119.800 -0.079 0.000 2.369 47 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 47 Q C 1.072 176.929 176.000 -0.237 0.000 0.963 47 Q CA 0.646 56.329 55.803 -0.200 0.000 0.894 47 Q CB 0.004 28.544 28.738 -0.332 0.000 0.965 47 Q HN 0.319 nan 8.270 nan 0.000 0.475 48 F N -0.095 119.783 119.950 -0.120 0.000 2.163 48 F HA -0.017 4.510 4.527 0.000 0.000 0.297 48 F C 2.359 178.130 175.800 -0.048 0.000 1.094 48 F CA 1.026 58.930 58.000 -0.161 0.000 1.290 48 F CB -0.664 38.167 39.000 -0.282 0.000 1.017 48 F HN 0.143 nan 8.300 nan 0.000 0.483 49 A N 0.513 123.456 122.820 0.206 0.000 1.940 49 A HA -0.226 4.094 4.320 0.000 0.000 0.219 49 A C 2.377 180.007 177.584 0.076 0.000 1.176 49 A CA 2.591 54.713 52.037 0.140 0.000 0.631 49 A CB -1.259 17.819 19.000 0.130 0.000 0.814 49 A HN 0.317 nan 8.150 nan 0.000 0.446 50 K N -0.607 119.817 120.400 0.039 0.000 1.991 50 K HA -0.053 4.267 4.320 0.000 0.000 0.212 50 K C 1.866 178.472 176.600 0.011 0.000 1.049 50 K CA 1.881 58.173 56.287 0.008 0.000 0.932 50 K CB -1.194 31.290 32.500 -0.027 0.000 0.717 50 K HN 0.337 nan 8.250 nan 0.000 0.441 51 L N -1.259 119.966 121.223 0.004 0.000 2.056 51 L HA 0.197 4.538 4.340 0.000 0.000 0.207 51 L C 2.236 179.133 176.870 0.046 0.000 1.078 51 L CA 2.160 57.008 54.840 0.012 0.000 0.749 51 L CB -0.113 41.943 42.059 -0.006 0.000 0.901 51 L HN 0.757 nan 8.230 nan 0.000 0.433 52 G N -2.815 106.033 108.800 0.079 0.000 2.227 52 G HA2 -0.204 3.756 3.960 0.000 0.000 0.168 52 G HA3 -0.204 3.756 3.960 0.000 0.000 0.168 52 G C 0.803 175.779 174.900 0.128 0.000 1.006 52 G CA 0.145 45.299 45.100 0.089 0.000 0.684 52 G HN 0.156 nan 8.290 nan 0.000 0.489 53 L N 0.307 121.627 121.223 0.161 0.000 2.131 53 L HA 0.169 4.509 4.340 0.000 0.000 0.210 53 L C 2.720 179.736 176.870 0.243 0.000 1.092 53 L CA 2.319 57.280 54.840 0.201 0.000 0.759 53 L CB -0.389 41.747 42.059 0.127 0.000 0.903 53 L HN 0.394 nan 8.230 nan 0.000 0.435 54 M N -0.544 119.178 119.600 0.203 0.000 2.539 54 M HA -0.013 4.467 4.480 0.000 0.000 0.261 54 M C 1.558 177.977 176.300 0.198 0.000 1.069 54 M CA 1.262 56.707 55.300 0.241 0.000 1.081 54 M CB -0.425 32.321 32.600 0.243 0.000 1.412 54 M HN 0.116 nan 8.290 nan 0.000 0.482 55 G N -0.944 107.949 108.800 0.155 0.000 3.453 55 G HA2 0.543 4.504 3.960 0.000 0.000 0.263 55 G HA3 0.543 4.504 3.960 0.000 0.000 0.263 55 G C 0.445 175.394 174.900 0.082 0.000 1.060 55 G CA 0.179 45.337 45.100 0.097 0.000 0.793 55 G HN 0.632 nan 8.290 nan 0.000 0.532 56 A N 0.453 123.346 122.820 0.122 0.000 2.307 56 A HA 0.473 4.793 4.320 0.000 0.000 0.271 56 A C 1.824 179.423 177.584 0.025 0.000 1.188 56 A CA 1.201 53.290 52.037 0.086 0.000 0.810 56 A CB -0.514 18.566 19.000 0.134 0.000 1.123 56 A HN 1.595 nan 8.150 nan 0.000 0.509 57 T N -4.640 109.912 114.554 -0.004 0.000 4.093 57 T HA -0.154 4.196 4.350 0.000 0.000 0.334 57 T C -0.038 174.653 174.700 -0.015 0.000 0.773 57 T CA 0.894 62.978 62.100 -0.027 0.000 1.900 57 T CB -2.767 66.056 68.868 -0.076 0.000 1.911 57 T HN 1.572 nan 8.240 nan 0.000 0.844 58 V N 0.905 120.813 119.914 -0.009 0.000 2.588 58 V HA 0.571 4.691 4.120 0.000 0.000 0.304 58 V C -2.236 173.838 176.094 -0.034 0.000 1.042 58 V CA -2.449 59.830 62.300 -0.035 0.000 0.877 58 V CB 2.003 33.799 31.823 -0.044 0.000 0.996 58 V HN 0.083 nan 8.190 nan 0.000 0.425 59 P HA -0.043 nan 4.420 nan 0.000 0.263 59 P C 0.687 177.971 177.300 -0.027 0.000 1.168 59 P CA 0.540 63.627 63.100 -0.023 0.000 0.759 59 P CB 0.610 32.273 31.700 -0.063 0.000 0.782 60 A N 4.209 127.036 122.820 0.011 0.000 1.978 60 A HA -0.217 4.103 4.320 0.000 0.000 0.220 60 A C 1.743 179.328 177.584 0.002 0.000 1.170 60 A CA 1.809 53.852 52.037 0.011 0.000 0.636 60 A CB -0.977 18.039 19.000 0.026 0.000 0.810 60 A HN 0.731 nan 8.150 nan 0.000 0.448 61 E N -0.928 119.278 120.200 0.010 0.000 2.511 61 E HA 0.028 4.379 4.350 0.000 0.000 0.196 61 E C 1.170 177.743 176.600 -0.045 0.000 1.066 61 E CA 0.293 56.701 56.400 0.012 0.000 0.871 61 E CB -0.019 29.725 29.700 0.074 0.000 0.863 61 E HN 0.417 nan 8.360 nan 0.000 0.520 62 L N -0.400 120.757 121.223 -0.111 0.000 2.575 62 L HA 0.353 4.693 4.340 0.000 0.000 0.228 62 L C 1.554 178.358 176.870 -0.110 0.000 1.075 62 L CA 1.420 56.152 54.840 -0.180 0.000 0.867 62 L CB 0.627 42.478 42.059 -0.346 0.000 1.097 62 L HN 0.461 nan 8.230 nan 0.000 0.485 63 G N -1.464 107.294 108.800 -0.069 0.000 4.213 63 G HA2 0.395 4.355 3.960 0.000 0.000 0.206 63 G HA3 0.395 4.355 3.960 0.000 0.000 0.206 63 G C 0.320 175.212 174.900 -0.013 0.000 1.421 63 G CA 0.547 45.624 45.100 -0.037 0.000 0.997 63 G HN 0.444 nan 8.290 nan 0.000 0.456 64 G N -0.680 108.115 108.800 -0.008 0.000 2.350 64 G HA2 0.508 4.468 3.960 0.000 0.000 0.305 64 G HA3 0.508 4.468 3.960 0.000 0.000 0.305 64 G C -0.456 174.456 174.900 0.020 0.000 1.479 64 G CA -0.337 44.769 45.100 0.010 0.000 0.949 64 G HN 1.308 nan 8.290 nan 0.000 0.651 65 L N -1.146 120.094 121.223 0.029 0.000 3.423 65 L HA -0.131 4.209 4.340 0.000 0.000 0.671 65 L C 1.107 177.995 176.870 0.030 0.000 1.083 65 L CA 0.475 55.337 54.840 0.037 0.000 1.201 65 L CB -1.010 41.081 42.059 0.054 0.000 1.578 65 L HN 1.397 nan 8.230 nan 0.000 0.839 66 G N 3.216 112.033 108.800 0.029 0.000 2.865 66 G HA2 0.412 4.372 3.960 0.000 0.000 0.292 66 G HA3 0.412 4.372 3.960 0.000 0.000 0.292 66 G C -0.300 174.618 174.900 0.031 0.000 0.800 66 G CA -0.359 44.759 45.100 0.030 0.000 1.838 66 G HN 0.266 nan 8.290 nan 0.000 0.535 67 L N 3.268 124.505 121.223 0.022 0.000 2.257 67 L HA 0.566 4.906 4.340 0.000 0.000 0.290 67 L C 1.239 178.114 176.870 0.008 0.000 1.044 67 L CA -0.006 54.843 54.840 0.014 0.000 0.810 67 L CB 1.444 43.503 42.059 0.001 0.000 1.193 67 L HN 0.356 nan 8.230 nan 0.000 0.425 68 T N 0.556 115.121 114.554 0.018 0.000 2.969 68 T HA 0.254 4.604 4.350 0.000 0.000 0.258 68 T C 0.831 175.540 174.700 0.015 0.000 0.962 68 T CA -0.406 61.707 62.100 0.022 0.000 0.903 68 T CB -0.049 68.846 68.868 0.046 0.000 1.177 68 T HN 0.266 nan 8.240 nan 0.000 0.511 69 R N 2.235 122.748 120.500 0.022 0.000 2.345 69 R HA 0.444 4.784 4.340 0.000 0.000 0.331 69 R C 1.209 177.525 176.300 0.026 0.000 1.067 69 R CA -0.839 55.284 56.100 0.038 0.000 0.962 69 R CB -0.824 29.515 30.300 0.065 0.000 0.987 69 R HN 0.351 nan 8.270 nan 0.000 0.451 70 L N 3.629 124.860 121.223 0.013 0.000 2.127 70 L HA -0.250 4.091 4.340 0.000 0.000 0.211 70 L C 1.460 178.330 176.870 0.000 0.000 1.089 70 L CA 1.289 56.115 54.840 -0.022 0.000 0.757 70 L CB -0.519 41.514 42.059 -0.044 0.000 0.899 70 L HN 0.690 nan 8.230 nan 0.000 0.434 71 Y N 1.188 121.454 120.300 -0.057 0.000 2.181 71 Y HA -0.270 4.280 4.550 0.001 0.000 0.288 71 Y C 2.051 177.926 175.900 -0.042 0.000 1.146 71 Y CA 1.913 59.984 58.100 -0.047 0.000 1.164 71 Y CB -0.125 38.316 38.460 -0.031 0.000 0.982 71 Y HN 0.214 nan 8.280 nan 0.000 0.515 72 D N -0.844 119.553 120.400 -0.006 0.000 2.183 72 D HA -0.132 4.508 4.640 0.000 0.000 0.203 72 D C 2.274 178.496 176.300 -0.131 0.000 0.969 72 D CA 1.416 55.373 54.000 -0.072 0.000 0.842 72 D CB -0.198 40.617 40.800 0.026 0.000 0.957 72 D HN 0.266 nan 8.370 nan 0.000 0.484 73 V N 0.909 120.746 119.914 -0.129 0.000 2.490 73 V HA -0.211 3.909 4.120 0.000 0.000 0.250 73 V C 2.349 178.310 176.094 -0.221 0.000 1.061 73 V CA 1.781 63.969 62.300 -0.187 0.000 1.064 73 V CB -0.853 30.863 31.823 -0.177 0.000 0.670 73 V HN 0.218 nan 8.190 nan 0.000 0.461 74 A N 0.178 122.870 122.820 -0.214 0.000 1.930 74 A HA -0.106 4.215 4.320 0.000 0.000 0.215 74 A C 2.365 179.816 177.584 -0.223 0.000 1.176 74 A CA 1.805 53.714 52.037 -0.214 0.000 0.632 74 A CB -0.796 18.072 19.000 -0.220 0.000 0.819 74 A HN 0.495 nan 8.150 nan 0.000 0.445 75 T N 0.522 114.902 114.554 -0.290 0.000 2.833 75 T HA 0.006 4.357 4.350 0.000 0.000 0.269 75 T C 2.104 176.744 174.700 -0.101 0.000 1.054 75 T CA 1.361 63.320 62.100 -0.235 0.000 1.135 75 T CB -0.319 68.393 68.868 -0.260 0.000 0.869 75 T HN 0.546 nan 8.240 nan 0.000 0.466 76 A N 1.476 124.245 122.820 -0.086 0.000 1.854 76 A HA 0.099 4.419 4.320 0.000 0.000 0.214 76 A C 2.132 179.758 177.584 0.070 0.000 1.192 76 A CA 0.977 53.028 52.037 0.024 0.000 0.611 76 A CB -0.846 18.148 19.000 -0.011 0.000 0.832 76 A HN 0.352 nan 8.150 nan 0.000 0.442 77 L N -0.745 120.438 121.223 -0.066 0.000 2.261 77 L HA -0.127 4.213 4.340 0.000 0.000 0.216 77 L C 2.575 179.448 176.870 0.007 0.000 1.114 77 L CA 1.922 56.751 54.840 -0.017 0.000 0.777 77 L CB -0.517 41.472 42.059 -0.117 0.000 0.910 77 L HN 0.595 nan 8.230 nan 0.000 0.440 78 M N -1.749 117.836 119.600 -0.025 0.000 2.193 78 M HA -0.113 4.367 4.480 0.000 0.000 0.265 78 M C 2.327 178.635 176.300 0.014 0.000 1.071 78 M CA 1.186 56.473 55.300 -0.022 0.000 1.140 78 M CB -0.043 32.531 32.600 -0.045 0.000 1.369 78 M HN 0.041 nan 8.290 nan 0.000 0.423 79 R N 0.571 121.092 120.500 0.034 0.000 2.081 79 R HA -0.128 4.213 4.340 0.000 0.000 0.235 79 R C 2.155 178.493 176.300 0.063 0.000 1.131 79 R CA 1.257 57.386 56.100 0.049 0.000 0.960 79 R CB -1.419 28.919 30.300 0.062 0.000 0.856 79 R HN 0.393 nan 8.270 nan 0.000 0.436 80 L N 0.660 121.948 121.223 0.107 0.000 2.109 80 L HA 0.077 4.417 4.340 0.000 0.000 0.207 80 L C 2.111 179.021 176.870 0.068 0.000 1.086 80 L CA 1.786 56.690 54.840 0.106 0.000 0.760 80 L CB -0.875 41.310 42.059 0.210 0.000 0.910 80 L HN 0.112 nan 8.230 nan 0.000 0.437 81 A N -0.756 122.095 122.820 0.051 0.000 2.019 81 A HA -0.202 4.118 4.320 0.000 0.000 0.219 81 A C 2.095 179.687 177.584 0.014 0.000 1.164 81 A CA 1.601 53.645 52.037 0.011 0.000 0.644 81 A CB -0.571 18.404 19.000 -0.042 0.000 0.805 81 A HN 0.618 nan 8.150 nan 0.000 0.449 82 E N -0.280 119.933 120.200 0.022 0.000 2.204 82 E HA -0.084 4.266 4.350 0.000 0.000 0.195 82 E C 2.147 178.764 176.600 0.028 0.000 0.990 82 E CA 0.800 57.216 56.400 0.027 0.000 0.821 82 E CB -0.195 29.522 29.700 0.029 0.000 0.750 82 E HN 0.677 nan 8.360 nan 0.000 0.477 83 A N 0.996 123.831 122.820 0.025 0.000 1.844 83 A HA -0.034 4.286 4.320 0.000 0.000 0.212 83 A C 0.807 178.404 177.584 0.022 0.000 1.221 83 A CA 0.769 52.817 52.037 0.018 0.000 0.607 83 A CB 0.351 19.355 19.000 0.007 0.000 0.878 83 A HN 0.125 nan 8.150 nan 0.000 0.451 84 D N -2.880 117.535 120.400 0.026 0.000 2.736 84 D HA 0.614 5.254 4.640 0.000 0.000 0.243 84 D C 0.463 176.787 176.300 0.040 0.000 1.304 84 D CA 0.234 54.255 54.000 0.034 0.000 0.934 84 D CB 1.688 42.506 40.800 0.030 0.000 1.382 84 D HN 0.159 nan 8.370 nan 0.000 0.571 85 A N 2.433 125.273 122.820 0.033 0.000 1.877 85 A HA -0.113 4.207 4.320 0.000 0.000 0.216 85 A C 2.026 179.636 177.584 0.043 0.000 1.186 85 A CA 1.826 53.866 52.037 0.005 0.000 0.620 85 A CB -0.441 18.551 19.000 -0.013 0.000 0.822 85 A HN 0.545 nan 8.150 nan 0.000 0.443 86 S N 0.131 115.883 115.700 0.087 0.000 2.365 86 S HA -0.210 4.260 4.470 0.000 0.000 0.225 86 S C 2.174 176.879 174.600 0.176 0.000 1.039 86 S CA 2.186 60.469 58.200 0.138 0.000 1.033 86 S CB -0.958 62.336 63.200 0.158 0.000 0.887 86 S HN 0.877 nan 8.310 nan 0.000 0.447 87 T N 1.417 116.060 114.554 0.148 0.000 2.821 87 T HA 0.059 4.409 4.350 0.000 0.000 0.267 87 T C 1.990 176.842 174.700 0.252 0.000 1.046 87 T CA 1.068 63.285 62.100 0.195 0.000 1.139 87 T CB -0.647 68.256 68.868 0.058 0.000 0.871 87 T HN 0.396 nan 8.240 nan 0.000 0.454 88 A N 1.625 124.552 122.820 0.179 0.000 1.908 88 A HA 0.064 4.384 4.320 0.000 0.000 0.218 88 A C 2.311 180.016 177.584 0.201 0.000 1.181 88 A CA 1.537 53.702 52.037 0.212 0.000 0.627 88 A CB -0.938 18.124 19.000 0.104 0.000 0.818 88 A HN 0.441 nan 8.150 nan 0.000 0.445 89 L N -0.411 120.894 121.223 0.138 0.000 2.083 89 L HA -0.068 4.272 4.340 0.000 0.000 0.209 89 L C 2.625 179.626 176.870 0.218 0.000 1.083 89 L CA 2.164 57.068 54.840 0.106 0.000 0.752 89 L CB -0.654 41.446 42.059 0.069 0.000 0.899 89 L HN 0.341 nan 8.230 nan 0.000 0.433 90 A N -1.430 121.582 122.820 0.320 0.000 1.872 90 A HA -0.237 4.083 4.320 0.000 0.000 0.214 90 A C 2.091 179.974 177.584 0.498 0.000 1.187 90 A CA 1.270 53.543 52.037 0.393 0.000 0.614 90 A CB -1.491 17.860 19.000 0.586 0.000 0.826 90 A HN 0.699 nan 8.150 nan 0.000 0.442 91 W N 0.889 122.427 121.300 0.396 0.000 2.387 91 W HA -0.190 4.470 4.660 0.000 0.000 0.272 91 W C 1.993 178.586 176.519 0.124 0.000 1.224 91 W CA 1.517 59.032 57.345 0.284 0.000 1.210 91 W CB -0.615 28.789 29.460 -0.094 0.000 1.125 91 W HN 0.673 nan 8.180 nan 0.000 0.572 92 H N -0.551 118.548 119.070 0.047 0.000 2.395 92 H HA -0.117 4.440 4.556 0.000 0.000 0.299 92 H C 1.895 177.185 175.328 -0.063 0.000 1.070 92 H CA 2.152 58.121 56.048 -0.131 0.000 1.356 92 H CB -0.169 29.541 29.762 -0.087 0.000 1.401 92 H HN 0.011 nan 8.280 nan 0.000 0.524 93 V N 1.409 121.338 119.914 0.026 0.000 2.282 93 V HA -0.288 3.832 4.120 0.000 0.000 0.249 93 V C 2.736 178.793 176.094 -0.062 0.000 1.057 93 V CA 2.280 64.573 62.300 -0.010 0.000 1.032 93 V CB -0.782 31.084 31.823 0.072 0.000 0.645 93 V HN 0.340 nan 8.190 nan 0.000 0.447 94 Q N 0.318 120.122 119.800 0.006 0.000 1.990 94 Q HA -0.102 4.239 4.340 0.000 0.000 0.200 94 Q C 2.059 178.008 176.000 -0.084 0.000 0.980 94 Q CA 1.829 57.648 55.803 0.028 0.000 0.832 94 Q CB -0.591 28.256 28.738 0.181 0.000 0.897 94 Q HN 0.605 nan 8.270 nan 0.000 0.427 95 L N 0.302 121.393 121.223 -0.219 0.000 2.189 95 L HA -0.208 4.132 4.340 0.000 0.000 0.214 95 L C 2.522 179.207 176.870 -0.308 0.000 1.097 95 L CA 1.166 55.815 54.840 -0.318 0.000 0.764 95 L CB -0.665 41.055 42.059 -0.566 0.000 0.900 95 L HN 0.272 nan 8.230 nan 0.000 0.436 96 S N 0.158 115.619 115.700 -0.398 0.000 2.349 96 S HA -0.208 4.263 4.470 0.000 0.000 0.216 96 S C 2.086 176.577 174.600 -0.181 0.000 1.033 96 S CA 1.390 59.365 58.200 -0.376 0.000 1.021 96 S CB -0.044 62.887 63.200 -0.448 0.000 0.968 96 S HN 0.262 nan 8.310 nan 0.000 0.426 97 R N 0.924 121.361 120.500 -0.105 0.000 2.170 97 R HA -0.009 4.331 4.340 0.000 0.000 0.242 97 R C 2.313 178.598 176.300 -0.026 0.000 1.145 97 R CA 1.231 57.310 56.100 -0.034 0.000 0.984 97 R CB -1.351 28.996 30.300 0.078 0.000 0.869 97 R HN 0.556 nan 8.270 nan 0.000 0.455 98 G N 0.414 109.184 108.800 -0.050 0.000 2.513 98 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 98 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 98 G C 1.116 176.003 174.900 -0.021 0.000 1.160 98 G CA 0.754 45.831 45.100 -0.038 0.000 0.767 98 G HN 0.150 nan 8.290 nan 0.000 0.571 99 L N 0.543 121.739 121.223 -0.045 0.000 2.162 99 L HA 0.019 4.360 4.340 0.000 0.000 0.205 99 L C 3.072 179.958 176.870 0.027 0.000 1.086 99 L CA 1.665 56.497 54.840 -0.013 0.000 0.778 99 L CB -1.660 40.364 42.059 -0.060 0.000 0.928 99 L HN 0.209 nan 8.230 nan 0.000 0.446 100 T N 0.764 115.310 114.554 -0.012 0.000 2.652 100 T HA -0.182 4.168 4.350 0.000 0.000 0.267 100 T C 2.162 176.908 174.700 0.076 0.000 1.039 100 T CA 1.286 63.386 62.100 0.000 0.000 1.153 100 T CB -0.245 68.570 68.868 -0.089 0.000 0.863 100 T HN 0.161 nan 8.240 nan 0.000 0.428 101 L N 0.524 121.782 121.223 0.057 0.000 2.027 101 L HA -0.090 4.250 4.340 0.000 0.000 0.206 101 L C 2.950 179.919 176.870 0.165 0.000 1.074 101 L CA 1.177 56.075 54.840 0.097 0.000 0.745 101 L CB -0.997 41.106 42.059 0.074 0.000 0.898 101 L HN 0.277 nan 8.230 nan 0.000 0.433 102 T N -1.272 113.374 114.554 0.153 0.000 2.778 102 T HA -0.278 4.072 4.350 0.000 0.000 0.269 102 T C 1.573 176.442 174.700 0.281 0.000 1.050 102 T CA 1.565 63.800 62.100 0.225 0.000 1.137 102 T CB -0.311 68.653 68.868 0.161 0.000 0.860 102 T HN 0.358 nan 8.240 nan 0.000 0.468 103 Y N 1.085 121.461 120.300 0.127 0.000 2.448 103 Y HA 0.163 4.713 4.550 0.000 0.000 0.289 103 Y C 2.269 178.251 175.900 0.137 0.000 1.114 103 Y CA 0.780 58.968 58.100 0.145 0.000 1.235 103 Y CB 0.083 38.607 38.460 0.107 0.000 1.045 103 Y HN 0.068 nan 8.280 nan 0.000 0.554 104 E N -0.710 119.571 120.200 0.134 0.000 2.158 104 E HA -0.147 4.204 4.350 0.000 0.000 0.191 104 E C 1.660 178.290 176.600 0.049 0.000 0.982 104 E CA 1.177 57.605 56.400 0.046 0.000 0.823 104 E CB -0.529 29.229 29.700 0.096 0.000 0.766 104 E HN 0.578 nan 8.360 nan 0.000 0.468 105 W N 1.156 122.407 121.300 -0.082 0.000 2.418 105 W HA -0.076 4.584 4.660 0.000 0.000 0.292 105 W C 1.695 178.117 176.519 -0.162 0.000 1.213 105 W CA 1.448 58.738 57.345 -0.092 0.000 1.283 105 W CB -0.020 29.405 29.460 -0.057 0.000 1.119 105 W HN 0.088 nan 8.180 nan 0.000 0.542 106 Q N -1.825 117.766 119.800 -0.347 0.000 2.165 106 Q HA -0.058 4.282 4.340 0.000 0.000 0.197 106 Q C 0.451 175.988 176.000 -0.771 0.000 0.952 106 Q CA 0.936 56.310 55.803 -0.714 0.000 0.848 106 Q CB -0.162 28.149 28.738 -0.712 0.000 0.931 106 Q HN 0.243 nan 8.270 nan 0.000 0.470 107 H N -0.262 118.570 119.070 -0.397 0.000 2.474 107 H HA 0.471 5.027 4.556 0.000 0.000 0.250 107 H C -0.372 174.756 175.328 -0.333 0.000 1.307 107 H CA 0.011 55.810 56.048 -0.415 0.000 1.058 107 H CB 0.416 29.794 29.762 -0.641 0.000 1.693 107 H HN 0.134 nan 8.280 nan 0.000 0.552 108 G N 0.502 109.204 108.800 -0.163 0.000 2.619 108 G HA2 0.324 4.284 3.960 0.000 0.000 0.296 108 G HA3 0.324 4.284 3.960 0.000 0.000 0.296 108 G C -0.087 174.767 174.900 -0.077 0.000 1.334 108 G CA -0.788 44.255 45.100 -0.095 0.000 0.934 108 G HN 0.174 nan 8.290 nan 0.000 0.476 109 T N 0.178 114.702 114.554 -0.050 0.000 2.903 109 T HA 0.213 4.563 4.350 0.000 0.000 0.314 109 T C -1.434 173.244 174.700 -0.037 0.000 1.078 109 T CA -0.631 61.443 62.100 -0.043 0.000 1.114 109 T CB 1.516 70.364 68.868 -0.033 0.000 0.987 109 T HN 0.131 nan 8.240 nan 0.000 0.548 110 P HA -0.110 nan 4.420 nan 0.000 0.216 110 P C -1.041 176.254 177.300 -0.009 0.000 1.154 110 P CA 1.379 64.463 63.100 -0.026 0.000 0.865 110 P CB -0.944 30.740 31.700 -0.027 0.000 0.789 111 P HA -0.123 nan 4.420 nan 0.000 0.215 111 P C 1.579 178.882 177.300 0.006 0.000 1.153 111 P CA 1.789 64.887 63.100 -0.004 0.000 0.853 111 P CB -0.552 31.141 31.700 -0.012 0.000 0.788 112 V N -2.561 117.356 119.914 0.005 0.000 3.235 112 V HA 0.164 4.284 4.120 0.000 0.000 0.259 112 V C 2.628 178.751 176.094 0.048 0.000 1.133 112 V CA 0.846 63.159 62.300 0.022 0.000 1.128 112 V CB -1.297 30.534 31.823 0.014 0.000 0.757 112 V HN -0.087 nan 8.190 nan 0.000 0.469 113 R N 0.575 121.099 120.500 0.040 0.000 2.193 113 R HA 0.159 4.499 4.340 0.000 0.000 0.213 113 R C 2.160 178.547 176.300 0.145 0.000 1.055 113 R CA 1.216 57.364 56.100 0.080 0.000 0.995 113 R CB -0.278 30.018 30.300 -0.007 0.000 0.893 113 R HN 0.591 nan 8.270 nan 0.000 0.459 114 A N 1.081 123.952 122.820 0.085 0.000 1.897 114 A HA -0.150 4.170 4.320 0.000 0.000 0.215 114 A C 2.051 179.676 177.584 0.068 0.000 1.181 114 A CA 1.317 53.403 52.037 0.082 0.000 0.620 114 A CB -0.307 18.719 19.000 0.044 0.000 0.821 114 A HN 0.481 nan 8.150 nan 0.000 0.443 115 M N -0.629 119.000 119.600 0.047 0.000 2.476 115 M HA 0.350 4.830 4.480 0.000 0.000 0.262 115 M C 1.722 178.033 176.300 0.019 0.000 1.079 115 M CA 1.333 56.643 55.300 0.016 0.000 1.104 115 M CB -0.778 31.824 32.600 0.003 0.000 1.409 115 M HN 0.168 nan 8.290 nan 0.000 0.467 116 A N 0.714 123.578 122.820 0.073 0.000 1.930 116 A HA -0.107 4.213 4.320 0.000 0.000 0.217 116 A C 2.144 179.704 177.584 -0.040 0.000 1.175 116 A CA 1.681 53.764 52.037 0.077 0.000 0.627 116 A CB -0.608 18.510 19.000 0.197 0.000 0.815 116 A HN 0.628 nan 8.150 nan 0.000 0.443 117 E N -0.066 120.114 120.200 -0.034 0.000 2.007 117 E HA -0.219 4.131 4.350 0.000 0.000 0.194 117 E C 2.212 178.738 176.600 -0.122 0.000 0.999 117 E CA 1.299 57.605 56.400 -0.156 0.000 0.811 117 E CB -0.377 29.307 29.700 -0.026 0.000 0.762 117 E HN 0.556 nan 8.360 nan 0.000 0.450 118 R N 0.353 120.815 120.500 -0.064 0.000 2.165 118 R HA -0.208 4.132 4.340 0.000 0.000 0.254 118 R C 2.502 178.748 176.300 -0.091 0.000 1.153 118 R CA 1.554 57.616 56.100 -0.064 0.000 0.971 118 R CB -0.449 29.819 30.300 -0.053 0.000 0.878 118 R HN 0.211 nan 8.270 nan 0.000 0.449 119 L N -0.719 120.435 121.223 -0.116 0.000 2.168 119 L HA -0.061 4.279 4.340 0.000 0.000 0.203 119 L C 2.259 179.072 176.870 -0.095 0.000 1.078 119 L CA 0.157 54.916 54.840 -0.134 0.000 0.780 119 L CB -0.297 41.655 42.059 -0.178 0.000 0.939 119 L HN 0.144 nan 8.230 nan 0.000 0.451 120 L N 0.345 121.499 121.223 -0.115 0.000 2.079 120 L HA -0.208 4.132 4.340 0.000 0.000 0.210 120 L C 2.655 179.437 176.870 -0.146 0.000 1.081 120 L CA 1.771 56.525 54.840 -0.143 0.000 0.752 120 L CB -0.578 41.327 42.059 -0.257 0.000 0.896 120 L HN 0.129 nan 8.230 nan 0.000 0.433 121 R N -1.077 119.329 120.500 -0.157 0.000 2.153 121 R HA -0.021 4.320 4.340 0.000 0.000 0.218 121 R C 2.073 178.335 176.300 -0.064 0.000 1.072 121 R CA 0.950 56.977 56.100 -0.122 0.000 0.990 121 R CB -0.157 30.071 30.300 -0.121 0.000 0.889 121 R HN 0.475 nan 8.270 nan 0.000 0.452 122 A N 1.455 124.246 122.820 -0.049 0.000 1.929 122 A HA -0.114 4.206 4.320 0.000 0.000 0.216 122 A C 2.073 179.659 177.584 0.003 0.000 1.176 122 A CA 1.286 53.315 52.037 -0.013 0.000 0.628 122 A CB -0.332 18.670 19.000 0.003 0.000 0.816 122 A HN 0.522 nan 8.150 nan 0.000 0.444 123 M N -1.964 117.635 119.600 -0.003 0.000 2.561 123 M HA 0.441 4.922 4.480 0.000 0.000 0.238 123 M C 1.689 178.003 176.300 0.023 0.000 1.131 123 M CA 0.820 56.133 55.300 0.022 0.000 1.046 123 M CB -0.149 32.466 32.600 0.026 0.000 1.532 123 M HN 0.178 nan 8.290 nan 0.000 0.497 124 A N 1.441 124.260 122.820 -0.002 0.000 1.898 124 A HA -0.152 4.169 4.320 0.000 0.000 0.216 124 A C 2.098 179.695 177.584 0.022 0.000 1.181 124 A CA 2.135 54.170 52.037 -0.003 0.000 0.620 124 A CB -0.407 18.572 19.000 -0.034 0.000 0.819 124 A HN 0.575 nan 8.150 nan 0.000 0.442 125 E N -2.010 118.204 120.200 0.023 0.000 2.216 125 E HA 0.270 4.621 4.350 0.000 0.000 0.192 125 E C 1.057 177.689 176.600 0.053 0.000 0.973 125 E CA 1.156 57.577 56.400 0.034 0.000 0.851 125 E CB 0.238 29.951 29.700 0.022 0.000 0.804 125 E HN 0.744 nan 8.360 nan 0.000 0.477 126 G N 0.223 109.056 108.800 0.055 0.000 2.173 126 G HA2 -0.160 3.800 3.960 0.000 0.000 0.142 126 G HA3 -0.160 3.800 3.960 0.000 0.000 0.142 126 G C 0.722 175.654 174.900 0.054 0.000 1.019 126 G CA 0.201 45.345 45.100 0.074 0.000 0.699 126 G HN 0.163 nan 8.290 nan 0.000 0.495 127 E N -0.001 120.222 120.200 0.038 0.000 2.268 127 E HA 0.243 4.594 4.350 0.000 0.000 0.195 127 E C 1.211 177.825 176.600 0.023 0.000 0.995 127 E CA 1.226 57.643 56.400 0.030 0.000 0.836 127 E CB 0.319 30.036 29.700 0.028 0.000 0.763 127 E HN 1.058 nan 8.360 nan 0.000 0.491 128 A N 0.430 123.266 122.820 0.027 0.000 2.408 128 A HA 0.661 4.981 4.320 0.000 0.000 0.295 128 A C -1.032 176.559 177.584 0.013 0.000 1.040 128 A CA -0.322 51.726 52.037 0.017 0.000 0.707 128 A CB 1.720 20.779 19.000 0.098 0.000 1.235 128 A HN 0.027 nan 8.150 nan 0.000 0.418 129 A N 1.848 124.643 122.820 -0.042 0.000 2.258 129 A HA 0.638 4.958 4.320 0.000 0.000 0.316 129 A C -0.242 177.306 177.584 -0.059 0.000 1.279 129 A CA -0.489 51.526 52.037 -0.036 0.000 0.876 129 A CB 0.706 19.662 19.000 -0.074 0.000 1.170 129 A HN 1.899 nan 8.150 nan 0.000 0.520 130 V N 3.249 123.167 119.914 0.007 0.000 2.539 130 V HA 0.580 4.701 4.120 0.000 0.000 0.292 130 V C -0.188 175.968 176.094 0.104 0.000 1.045 130 V CA -0.224 62.100 62.300 0.041 0.000 0.945 130 V CB 0.806 32.687 31.823 0.097 0.000 0.993 130 V HN 1.032 nan 8.190 nan 0.000 0.464 131 C N 3.851 123.266 119.300 0.191 0.000 2.913 131 C HA 0.920 5.380 4.460 0.000 0.000 0.322 131 C C 0.482 175.699 174.990 0.379 0.000 1.292 131 C CA -0.291 58.905 59.018 0.298 0.000 1.649 131 C CB 1.796 29.823 27.740 0.479 0.000 2.139 131 C HN 1.112 nan 8.230 nan 0.000 0.475 132 G N 0.567 109.527 108.800 0.266 0.000 2.675 132 G HA2 0.598 4.559 3.960 0.000 0.000 0.297 132 G HA3 0.598 4.559 3.960 0.000 0.000 0.297 132 G C -0.650 174.331 174.900 0.136 0.000 1.399 132 G CA -0.041 45.206 45.100 0.245 0.000 0.981 132 G HN 1.156 nan 8.290 nan 0.000 0.519 133 A N 3.145 126.052 122.820 0.145 0.000 2.910 133 A HA 0.533 4.853 4.320 0.000 0.000 0.316 133 A C 0.786 178.434 177.584 0.106 0.000 1.493 133 A CA -0.388 51.689 52.037 0.067 0.000 1.150 133 A CB 0.290 19.352 19.000 0.104 0.000 1.159 133 A HN 0.702 nan 8.150 nan 0.000 0.526 134 L N 2.095 123.341 121.223 0.037 0.000 2.228 134 L HA 0.306 4.646 4.340 0.000 0.000 0.196 134 L C 1.155 177.984 176.870 -0.068 0.000 1.162 134 L CA 1.248 56.050 54.840 -0.064 0.000 0.801 134 L CB -0.477 41.490 42.059 -0.154 0.000 0.983 134 L HN 0.525 nan 8.230 nan 0.000 0.471 135 K N 1.214 121.577 120.400 -0.061 0.000 2.447 135 K HA -0.007 4.313 4.320 0.000 0.000 0.281 135 K C -0.750 175.845 176.600 -0.009 0.000 1.031 135 K CA 0.041 56.304 56.287 -0.039 0.000 1.019 135 K CB 0.061 32.542 32.500 -0.032 0.000 0.918 135 K HN 0.337 nan 8.250 nan 0.000 0.476 136 D N 1.654 122.055 120.400 0.002 0.000 2.383 136 D HA 0.242 4.883 4.640 0.000 0.000 0.248 136 D C -0.295 176.015 176.300 0.017 0.000 1.170 136 D CA -0.252 53.761 54.000 0.022 0.000 0.977 136 D CB 0.825 41.642 40.800 0.028 0.000 1.120 136 D HN 0.590 nan 8.370 nan 0.000 0.481 137 A N 0.624 123.458 122.820 0.023 0.000 2.322 137 A HA 0.460 4.780 4.320 0.000 0.000 0.269 137 A C -2.224 175.371 177.584 0.019 0.000 1.094 137 A CA -1.306 50.742 52.037 0.018 0.000 0.807 137 A CB -0.090 18.920 19.000 0.017 0.000 1.047 137 A HN 0.375 nan 8.150 nan 0.000 0.487 138 P HA 0.193 nan 4.420 nan 0.000 0.257 138 P C 0.885 178.196 177.300 0.018 0.000 1.189 138 P CA 2.187 65.296 63.100 0.016 0.000 0.780 138 P CB 0.179 31.887 31.700 0.014 0.000 0.772 139 G N 1.649 110.461 108.800 0.020 0.000 2.157 139 G HA2 -0.186 3.774 3.960 0.000 0.000 0.248 139 G HA3 -0.186 3.774 3.960 0.000 0.000 0.248 139 G C 0.015 174.932 174.900 0.028 0.000 0.979 139 G CA -0.169 44.944 45.100 0.022 0.000 0.650 139 G HN 0.509 nan 8.290 nan 0.000 0.529 140 V N 0.291 120.223 119.914 0.031 0.000 2.628 140 V HA 0.743 4.863 4.120 0.000 0.000 0.306 140 V C 0.224 176.343 176.094 0.042 0.000 1.045 140 V CA -0.924 61.400 62.300 0.040 0.000 0.905 140 V CB 2.148 33.998 31.823 0.044 0.000 0.997 140 V HN 0.314 nan 8.190 nan 0.000 0.436 141 V N 2.483 122.427 119.914 0.050 0.000 2.409 141 V HA 0.357 4.477 4.120 0.000 0.000 0.291 141 V C 0.223 176.348 176.094 0.051 0.000 1.020 141 V CA -0.395 61.931 62.300 0.043 0.000 0.848 141 V CB 1.897 33.743 31.823 0.038 0.000 0.990 141 V HN 0.940 nan 8.190 nan 0.000 0.430 142 T N 4.734 119.314 114.554 0.044 0.000 2.739 142 T HA 0.583 4.934 4.350 0.000 0.000 0.298 142 T C 0.336 175.029 174.700 -0.012 0.000 0.929 142 T CA 0.316 62.439 62.100 0.039 0.000 1.014 142 T CB 0.539 69.435 68.868 0.046 0.000 0.914 142 T HN 0.990 nan 8.240 nan 0.000 0.509 143 E N 2.940 123.118 120.200 -0.037 0.000 2.370 143 E HA 0.841 5.191 4.350 0.000 0.000 0.259 143 E C -1.122 175.384 176.600 -0.156 0.000 0.947 143 E CA -0.871 55.452 56.400 -0.128 0.000 0.809 143 E CB 1.007 30.578 29.700 -0.214 0.000 1.300 143 E HN 0.620 nan 8.360 nan 0.000 0.419 144 L N 1.835 122.938 121.223 -0.199 0.000 2.372 144 L HA 0.480 4.820 4.340 0.000 0.000 0.274 144 L C -0.707 176.205 176.870 0.071 0.000 0.988 144 L CA -1.028 53.787 54.840 -0.041 0.000 0.833 144 L CB 1.646 43.636 42.059 -0.115 0.000 1.236 144 L HN 0.632 nan 8.230 nan 0.000 0.410 145 H N 1.043 120.324 119.070 0.351 0.000 2.533 145 H HA 0.329 4.886 4.556 0.000 0.000 0.343 145 H C -0.438 175.019 175.328 0.215 0.000 1.160 145 H CA -0.476 55.745 56.048 0.289 0.000 1.218 145 H CB 2.482 32.328 29.762 0.141 0.000 1.566 145 H HN 0.437 nan 8.280 nan 0.000 0.522 146 S N 0.147 115.887 115.700 0.065 0.000 2.562 146 S HA 0.044 4.514 4.470 0.000 0.000 0.275 146 S C 0.671 175.158 174.600 -0.188 0.000 1.281 146 S CA -0.581 57.375 58.200 -0.408 0.000 1.045 146 S CB 0.398 63.273 63.200 -0.541 0.000 0.962 146 S HN 0.732 nan 8.310 nan 0.000 0.503 147 D N 2.700 122.963 120.400 -0.228 0.000 2.338 147 D HA 0.305 4.946 4.640 0.000 0.000 0.208 147 D C 1.330 177.553 176.300 -0.128 0.000 0.997 147 D CA 0.811 54.740 54.000 -0.118 0.000 0.880 147 D CB -0.121 40.632 40.800 -0.077 0.000 0.980 147 D HN 0.800 nan 8.370 nan 0.000 0.509 148 G N 0.418 109.105 108.800 -0.188 0.000 2.659 148 G HA2 -0.244 3.716 3.960 0.000 0.000 0.202 148 G HA3 -0.244 3.716 3.960 0.000 0.000 0.202 148 G C 1.474 176.296 174.900 -0.131 0.000 1.186 148 G CA 0.284 45.297 45.100 -0.144 0.000 0.783 148 G HN 0.730 nan 8.290 nan 0.000 0.521 149 A N 0.263 123.019 122.820 -0.108 0.000 2.024 149 A HA 0.416 4.737 4.320 0.000 0.000 0.220 149 A C 2.783 180.313 177.584 -0.089 0.000 1.164 149 A CA 3.114 55.104 52.037 -0.079 0.000 0.643 149 A CB -0.585 18.382 19.000 -0.055 0.000 0.806 149 A HN 2.611 nan 8.150 nan 0.000 0.451 150 G N -3.253 105.457 108.800 -0.149 0.000 2.705 150 G HA2 0.129 4.089 3.960 0.000 0.000 0.193 150 G HA3 0.129 4.089 3.960 0.000 0.000 0.193 150 G C 0.691 175.485 174.900 -0.176 0.000 1.015 150 G CA 0.098 45.112 45.100 -0.143 0.000 0.743 150 G HN 1.291 nan 8.290 nan 0.000 0.476 151 G N -0.661 108.058 108.800 -0.134 0.000 2.537 151 G HA2 0.484 4.445 3.960 0.000 0.000 0.273 151 G HA3 0.484 4.445 3.960 0.000 0.000 0.273 151 G C -0.519 174.281 174.900 -0.167 0.000 1.189 151 G CA -0.487 44.589 45.100 -0.039 0.000 0.881 151 G HN 0.252 nan 8.290 nan 0.000 0.535 152 W N -0.710 120.604 121.300 0.023 0.000 2.706 152 W HA 0.599 5.259 4.660 0.001 0.000 0.346 152 W C -0.873 175.669 176.519 0.039 0.000 1.071 152 W CA -0.712 56.652 57.345 0.031 0.000 1.206 152 W CB 1.852 31.320 29.460 0.014 0.000 1.413 152 W HN 0.149 nan 8.180 nan 0.000 0.542 153 L N 3.190 124.597 121.223 0.308 0.000 2.296 153 L HA 0.481 4.822 4.340 0.000 0.000 0.286 153 L C -0.479 176.518 176.870 0.212 0.000 1.023 153 L CA -0.841 54.131 54.840 0.219 0.000 0.812 153 L CB 1.046 43.218 42.059 0.188 0.000 1.223 153 L HN 0.344 nan 8.230 nan 0.000 0.421 154 L N 2.932 124.244 121.223 0.149 0.000 2.280 154 L HA 0.645 4.985 4.340 0.000 0.000 0.287 154 L C -0.485 176.469 176.870 0.140 0.000 1.023 154 L CA 0.190 55.081 54.840 0.086 0.000 0.819 154 L CB 1.009 43.058 42.059 -0.018 0.000 1.212 154 L HN 0.667 nan 8.230 nan 0.000 0.420 155 S N 2.577 118.365 115.700 0.146 0.000 2.600 155 S HA 1.001 5.471 4.470 0.000 0.000 0.300 155 S C -0.255 174.451 174.600 0.177 0.000 1.087 155 S CA -0.126 58.187 58.200 0.188 0.000 0.965 155 S CB 1.935 65.254 63.200 0.199 0.000 1.089 155 S HN 1.098 nan 8.310 nan 0.000 0.496 156 G N 1.461 110.382 108.800 0.202 0.000 2.406 156 G HA2 0.182 4.143 3.960 0.000 0.000 0.680 156 G HA3 0.182 4.143 3.960 0.000 0.000 0.680 156 G C -1.552 173.498 174.900 0.249 0.000 1.338 156 G CA -1.156 44.053 45.100 0.182 0.000 0.941 156 G HN 0.804 nan 8.290 nan 0.000 0.633 157 R N 0.043 120.634 120.500 0.153 0.000 2.807 157 R HA 0.849 5.189 4.340 0.000 0.000 0.276 157 R C -1.034 175.318 176.300 0.086 0.000 0.979 157 R CA -1.129 55.024 56.100 0.087 0.000 0.928 157 R CB 2.285 32.582 30.300 -0.005 0.000 1.191 157 R HN 0.378 nan 8.270 nan 0.000 0.471 158 K N 1.482 121.908 120.400 0.042 0.000 2.328 158 K HA 0.496 4.816 4.320 0.000 0.000 0.246 158 K C -0.100 176.471 176.600 -0.050 0.000 0.955 158 K CA -0.816 55.486 56.287 0.026 0.000 0.817 158 K CB 2.478 35.026 32.500 0.080 0.000 1.208 158 K HN 0.631 nan 8.250 nan 0.000 0.432 159 V N -1.994 117.895 119.914 -0.041 0.000 3.164 159 V HA 0.485 4.605 4.120 0.000 0.000 0.313 159 V C 0.458 176.503 176.094 -0.081 0.000 1.188 159 V CA -1.211 61.056 62.300 -0.054 0.000 1.058 159 V CB 1.195 33.009 31.823 -0.014 0.000 1.110 159 V HN 0.614 nan 8.190 nan 0.000 0.453 160 L N -0.507 120.646 121.223 -0.117 0.000 3.737 160 L HA -0.125 4.215 4.340 0.000 0.000 0.418 160 L C 0.113 176.875 176.870 -0.181 0.000 1.216 160 L CA 0.671 55.401 54.840 -0.183 0.000 0.915 160 L CB -2.104 39.894 42.059 -0.101 0.000 1.834 160 L HN 0.734 nan 8.230 nan 0.000 0.943 161 V N -0.208 119.589 119.914 -0.195 0.000 2.320 161 V HA 0.288 4.408 4.120 0.000 0.000 0.265 161 V C 1.251 177.235 176.094 -0.184 0.000 1.048 161 V CA -0.224 61.981 62.300 -0.159 0.000 0.865 161 V CB 1.271 32.981 31.823 -0.189 0.000 1.043 161 V HN 0.377 nan 8.190 nan 0.000 0.474 162 S N 4.502 120.116 115.700 -0.144 0.000 2.603 162 S HA 0.455 4.925 4.470 0.000 0.000 0.268 162 S C 0.679 175.211 174.600 -0.113 0.000 1.317 162 S CA -0.418 57.697 58.200 -0.142 0.000 1.012 162 S CB 0.499 63.666 63.200 -0.055 0.000 0.926 162 S HN 0.958 nan 8.310 nan 0.000 0.539 163 M N 0.453 119.940 119.600 -0.189 0.000 2.297 163 M HA -0.289 4.191 4.480 0.000 0.000 0.200 163 M C 0.671 176.781 176.300 -0.316 0.000 0.414 163 M CA 0.522 55.626 55.300 -0.327 0.000 0.449 163 M CB -1.307 31.213 32.600 -0.133 0.000 1.436 163 M HN 0.833 nan 8.290 nan 0.000 0.912 164 A N 0.589 123.211 122.820 -0.330 0.000 1.861 164 A HA 0.118 4.439 4.320 0.000 0.000 0.212 164 A C -0.374 177.090 177.584 -0.200 0.000 1.199 164 A CA 1.102 53.067 52.037 -0.121 0.000 0.613 164 A CB -1.128 17.819 19.000 -0.089 0.000 0.846 164 A HN 0.599 nan 8.150 nan 0.000 0.446 165 P HA -0.212 nan 4.420 nan 0.000 0.216 165 P C 1.573 178.739 177.300 -0.224 0.000 1.157 165 P CA 1.361 64.296 63.100 -0.276 0.000 0.880 165 P CB -0.133 31.373 31.700 -0.323 0.000 0.791 166 I N -1.217 119.160 120.570 -0.322 0.000 2.761 166 I HA 0.033 4.203 4.170 0.000 0.000 0.261 166 I C 0.973 176.979 176.117 -0.185 0.000 1.198 166 I CA -0.012 61.196 61.300 -0.153 0.000 1.482 166 I CB -0.286 37.671 38.000 -0.072 0.000 1.100 166 I HN -0.169 nan 8.210 nan 0.000 0.445 167 A N 0.203 122.880 122.820 -0.239 0.000 2.561 167 A HA 0.048 4.368 4.320 0.000 0.000 0.234 167 A C 1.278 178.606 177.584 -0.427 0.000 1.055 167 A CA 0.963 52.824 52.037 -0.293 0.000 0.756 167 A CB 0.020 18.871 19.000 -0.249 0.000 0.986 167 A HN 0.534 nan 8.150 nan 0.000 0.505 168 T N -0.783 113.464 114.554 -0.511 0.000 3.098 168 T HA 0.224 4.574 4.350 0.000 0.000 0.246 168 T C 0.629 174.681 174.700 -1.080 0.000 0.983 168 T CA 0.469 62.142 62.100 -0.712 0.000 1.094 168 T CB -0.099 68.396 68.868 -0.622 0.000 1.035 168 T HN 0.692 nan 8.240 nan 0.000 0.456 169 H N 0.156 118.818 119.070 -0.679 0.000 2.529 169 H HA 0.618 5.174 4.556 0.000 0.000 0.348 169 H C -1.496 173.538 175.328 -0.491 0.000 1.152 169 H CA -0.958 54.730 56.048 -0.600 0.000 1.202 169 H CB 1.355 30.843 29.762 -0.458 0.000 1.562 169 H HN 0.205 nan 8.280 nan 0.000 0.515 170 F N 1.387 121.314 119.950 -0.038 0.000 2.507 170 F HA 0.242 4.770 4.527 0.000 0.000 0.325 170 F C -0.246 175.518 175.800 -0.060 0.000 1.116 170 F CA -0.989 57.020 58.000 0.015 0.000 0.930 170 F CB 0.917 40.013 39.000 0.159 0.000 1.146 170 F HN 0.350 nan 8.300 nan 0.000 0.447 171 F N 3.323 123.417 119.950 0.241 0.000 2.467 171 F HA 0.319 4.847 4.527 0.000 0.000 0.349 171 F C 0.234 176.070 175.800 0.060 0.000 1.182 171 F CA -0.687 57.365 58.000 0.087 0.000 1.279 171 F CB 0.634 39.672 39.000 0.062 0.000 1.626 171 F HN 0.134 nan 8.300 nan 0.000 0.596 172 V N 4.441 124.434 119.914 0.131 0.000 2.530 172 V HA 0.187 4.307 4.120 0.000 0.000 0.282 172 V C 0.116 176.207 176.094 -0.005 0.000 1.048 172 V CA -0.352 61.945 62.300 -0.004 0.000 0.997 172 V CB 0.333 31.902 31.823 -0.424 0.000 0.987 172 V HN 0.449 nan 8.190 nan 0.000 0.477 173 H N 5.748 124.798 119.070 -0.034 0.000 2.668 173 H HA 0.642 5.198 4.556 0.000 0.000 0.303 173 H C 0.179 175.469 175.328 -0.063 0.000 1.074 173 H CA 0.383 56.410 56.048 -0.036 0.000 1.406 173 H CB 1.577 31.328 29.762 -0.019 0.000 1.442 173 H HN 0.936 nan 8.280 nan 0.000 0.482 174 A N 3.653 126.469 122.820 -0.006 0.000 2.530 174 A HA 0.479 4.799 4.320 0.000 0.000 0.288 174 A C -1.074 176.484 177.584 -0.044 0.000 1.172 174 A CA -0.880 51.133 52.037 -0.040 0.000 0.733 174 A CB 2.218 21.155 19.000 -0.106 0.000 1.320 174 A HN 0.750 nan 8.150 nan 0.000 0.419 175 Q N -0.952 118.815 119.800 -0.054 0.000 2.305 175 Q HA 0.750 5.090 4.340 0.000 0.000 0.271 175 Q C -0.621 175.333 176.000 -0.077 0.000 1.046 175 Q CA -0.817 54.957 55.803 -0.048 0.000 0.798 175 Q CB 1.590 30.315 28.738 -0.021 0.000 1.286 175 Q HN 1.014 nan 8.270 nan 0.000 0.435 176 R N 0.590 121.050 120.500 -0.066 0.000 2.407 176 R HA 0.764 5.105 4.340 0.000 0.000 0.303 176 R C -0.120 176.203 176.300 0.037 0.000 0.981 176 R CA 0.008 56.075 56.100 -0.055 0.000 0.905 176 R CB 0.619 30.813 30.300 -0.176 0.000 1.099 176 R HN 0.875 nan 8.270 nan 0.000 0.459 177 R N 1.294 121.838 120.500 0.073 0.000 2.565 177 R HA 0.539 4.879 4.340 0.000 0.000 0.286 177 R C 0.479 176.865 176.300 0.143 0.000 1.256 177 R CA 0.197 56.347 56.100 0.083 0.000 1.238 177 R CB -1.337 29.013 30.300 0.082 0.000 1.153 177 R HN 1.304 nan 8.270 nan 0.000 0.553 178 D N 0.030 120.526 120.400 0.161 0.000 2.429 178 D HA -0.025 4.616 4.640 0.000 0.000 0.233 178 D C 0.657 177.043 176.300 0.142 0.000 1.202 178 D CA 0.733 54.859 54.000 0.210 0.000 0.879 178 D CB 0.502 41.471 40.800 0.282 0.000 1.212 178 D HN 0.689 nan 8.370 nan 0.000 0.465 179 D N -0.987 119.498 120.400 0.142 0.000 2.234 179 D HA 0.011 4.651 4.640 0.000 0.000 0.205 179 D C 2.158 178.505 176.300 0.078 0.000 0.962 179 D CA 1.955 56.014 54.000 0.099 0.000 0.855 179 D CB -0.231 40.622 40.800 0.088 0.000 0.951 179 D HN 0.573 nan 8.370 nan 0.000 0.500 180 D N -1.037 119.418 120.400 0.091 0.000 2.123 180 D HA 0.006 4.646 4.640 0.000 0.000 0.196 180 D C 1.865 178.190 176.300 0.041 0.000 0.992 180 D CA 2.107 56.150 54.000 0.070 0.000 0.833 180 D CB -0.557 40.300 40.800 0.095 0.000 0.954 180 D HN 0.426 nan 8.370 nan 0.000 0.455 181 G N -1.647 107.171 108.800 0.030 0.000 3.033 181 G HA2 0.157 4.117 3.960 0.000 0.000 0.208 181 G HA3 0.157 4.117 3.960 0.000 0.000 0.208 181 G C 0.682 175.556 174.900 -0.043 0.000 1.006 181 G CA 0.792 45.893 45.100 0.001 0.000 0.808 181 G HN 1.444 nan 8.290 nan 0.000 0.499 182 S N 0.320 115.963 115.700 -0.094 0.000 2.578 182 S HA 0.767 5.237 4.470 0.000 0.000 0.283 182 S C -0.089 174.310 174.600 -0.335 0.000 1.195 182 S CA -0.518 57.544 58.200 -0.230 0.000 1.050 182 S CB 2.486 65.491 63.200 -0.325 0.000 1.012 182 S HN 0.854 nan 8.310 nan 0.000 0.511 183 V N 3.000 122.711 119.914 -0.337 0.000 2.439 183 V HA 0.481 4.601 4.120 0.000 0.000 0.282 183 V C -0.693 175.145 176.094 -0.427 0.000 1.039 183 V CA -0.589 61.551 62.300 -0.267 0.000 0.913 183 V CB 0.289 32.039 31.823 -0.122 0.000 0.983 183 V HN 0.819 nan 8.190 nan 0.000 0.460 184 F N 3.652 123.581 119.950 -0.034 0.000 2.432 184 F HA 0.531 5.058 4.527 0.000 0.000 0.329 184 F C 0.062 175.822 175.800 -0.067 0.000 1.076 184 F CA -0.922 57.048 58.000 -0.050 0.000 1.018 184 F CB 1.409 40.370 39.000 -0.065 0.000 1.201 184 F HN 0.200 nan 8.300 nan 0.000 0.489 185 L N 2.941 124.254 121.223 0.151 0.000 2.280 185 L HA 0.743 5.084 4.340 0.000 0.000 0.287 185 L C -0.849 176.024 176.870 0.004 0.000 1.023 185 L CA -0.246 54.629 54.840 0.057 0.000 0.819 185 L CB 0.179 42.276 42.059 0.064 0.000 1.212 185 L HN 0.735 nan 8.230 nan 0.000 0.420 186 A N 4.892 127.674 122.820 -0.063 0.000 2.374 186 A HA 0.710 5.031 4.320 0.000 0.000 0.317 186 A C -0.750 176.728 177.584 -0.176 0.000 1.094 186 A CA -0.510 51.449 52.037 -0.130 0.000 0.765 186 A CB 1.873 20.762 19.000 -0.185 0.000 1.268 186 A HN 0.632 nan 8.150 nan 0.000 0.438 187 V N 0.157 119.950 119.914 -0.202 0.000 2.250 187 V HA 0.507 4.628 4.120 0.000 0.000 0.268 187 V C -2.944 173.118 176.094 -0.053 0.000 1.043 187 V CA -1.999 60.168 62.300 -0.222 0.000 0.814 187 V CB 0.190 31.766 31.823 -0.412 0.000 1.072 187 V HN 0.586 nan 8.190 nan 0.000 0.451 188 P HA 0.391 nan 4.420 nan 0.000 0.274 188 P C -0.554 176.726 177.300 -0.033 0.000 1.246 188 P CA -0.211 62.852 63.100 -0.062 0.000 0.795 188 P CB 1.207 32.839 31.700 -0.113 0.000 1.006 189 V N 2.086 121.948 119.914 -0.087 0.000 2.350 189 V HA 0.346 4.466 4.120 0.000 0.000 0.285 189 V C 0.160 176.211 176.094 -0.072 0.000 1.014 189 V CA -0.638 61.536 62.300 -0.210 0.000 0.831 189 V CB 1.382 32.953 31.823 -0.419 0.000 1.000 189 V HN 0.387 nan 8.190 nan 0.000 0.433 190 V N 1.397 121.318 119.914 0.012 0.000 2.667 190 V HA 0.615 4.735 4.120 0.000 0.000 0.308 190 V C -0.147 176.042 176.094 0.158 0.000 1.048 190 V CA -0.660 61.708 62.300 0.114 0.000 0.928 190 V CB 1.747 33.660 31.823 0.149 0.000 1.004 190 V HN 0.840 nan 8.190 nan 0.000 0.444 191 H N 2.773 121.884 119.070 0.068 0.000 2.548 191 H HA 0.368 4.925 4.556 0.000 0.000 0.331 191 H C 1.215 176.474 175.328 -0.115 0.000 1.093 191 H CA 0.120 56.117 56.048 -0.086 0.000 1.367 191 H CB 1.728 31.438 29.762 -0.087 0.000 1.455 191 H HN 0.921 nan 8.280 nan 0.000 0.519 192 R N 2.647 122.999 120.500 -0.246 0.000 2.159 192 R HA -0.195 4.145 4.340 0.000 0.000 0.252 192 R C 0.725 177.076 176.300 0.086 0.000 1.144 192 R CA 2.347 58.359 56.100 -0.147 0.000 0.961 192 R CB -0.463 29.656 30.300 -0.300 0.000 0.877 192 R HN 0.692 nan 8.270 nan 0.000 0.444 193 D N 0.672 121.191 120.400 0.197 0.000 2.371 193 D HA 0.035 4.676 4.640 0.000 0.000 0.234 193 D C 0.178 176.518 176.300 0.066 0.000 1.049 193 D CA 0.849 54.893 54.000 0.073 0.000 0.907 193 D CB -0.322 40.456 40.800 -0.036 0.000 0.891 193 D HN 0.449 nan 8.370 nan 0.000 0.531 194 A N 2.636 125.530 122.820 0.123 0.000 2.586 194 A HA 0.011 4.331 4.320 0.000 0.000 0.231 194 A C -0.576 177.068 177.584 0.099 0.000 1.055 194 A CA -0.625 51.489 52.037 0.129 0.000 0.756 194 A CB 0.319 19.441 19.000 0.205 0.000 0.988 194 A HN 0.029 nan 8.150 nan 0.000 0.509 195 P HA -0.146 nan 4.420 nan 0.000 0.214 195 P C 1.267 178.611 177.300 0.073 0.000 1.163 195 P CA 2.192 65.332 63.100 0.066 0.000 0.883 195 P CB -0.067 31.669 31.700 0.059 0.000 0.788 196 G N -0.916 107.944 108.800 0.101 0.000 3.088 196 G HA2 0.137 4.097 3.960 0.000 0.000 0.217 196 G HA3 0.137 4.097 3.960 0.000 0.000 0.217 196 G C 0.471 175.426 174.900 0.092 0.000 1.159 196 G CA -0.164 44.993 45.100 0.094 0.000 0.760 196 G HN 0.200 nan 8.290 nan 0.000 0.550 197 L N 2.215 123.511 121.223 0.122 0.000 2.485 197 L HA 0.483 4.824 4.340 0.000 0.000 0.275 197 L C -0.472 176.395 176.870 -0.005 0.000 1.207 197 L CA 0.529 55.414 54.840 0.075 0.000 0.855 197 L CB 0.862 43.040 42.059 0.198 0.000 1.114 197 L HN -0.081 nan 8.230 nan 0.000 0.485 198 T N 4.417 118.905 114.554 -0.110 0.000 3.071 198 T HA 0.389 4.739 4.350 0.000 0.000 0.311 198 T C -1.126 173.493 174.700 -0.134 0.000 1.042 198 T CA -0.463 61.587 62.100 -0.084 0.000 1.028 198 T CB 1.532 70.357 68.868 -0.071 0.000 1.068 198 T HN 0.533 nan 8.240 nan 0.000 0.451 199 V N 5.604 125.480 119.914 -0.065 0.000 2.357 199 V HA 0.586 4.706 4.120 0.000 0.000 0.284 199 V C -0.714 175.351 176.094 -0.048 0.000 1.018 199 V CA -0.818 61.441 62.300 -0.068 0.000 0.841 199 V CB 0.495 32.327 31.823 0.016 0.000 0.991 199 V HN 0.775 nan 8.190 nan 0.000 0.437 200 L N 5.224 126.412 121.223 -0.058 0.000 2.326 200 L HA 0.475 4.815 4.340 0.000 0.000 0.278 200 L C 0.438 177.311 176.870 0.004 0.000 1.092 200 L CA -0.359 54.467 54.840 -0.023 0.000 0.810 200 L CB 1.094 43.139 42.059 -0.022 0.000 1.153 200 L HN 0.604 nan 8.230 nan 0.000 0.439 201 D N 1.013 121.427 120.400 0.024 0.000 2.690 201 D HA -0.033 4.607 4.640 0.000 0.000 0.236 201 D C 1.136 177.488 176.300 0.086 0.000 1.218 201 D CA -0.030 54.002 54.000 0.054 0.000 0.829 201 D CB 0.093 40.921 40.800 0.047 0.000 1.009 201 D HN 0.476 nan 8.370 nan 0.000 0.482 202 N N -0.297 118.458 118.700 0.091 0.000 2.449 202 N HA -0.124 4.616 4.740 0.000 0.000 0.191 202 N C 0.105 175.723 175.510 0.179 0.000 1.161 202 N CA -0.368 52.741 53.050 0.100 0.000 0.863 202 N CB -0.443 38.085 38.487 0.068 0.000 0.980 202 N HN 0.384 nan 8.380 nan 0.000 0.458 203 W N 1.233 122.527 121.300 -0.011 0.000 2.251 203 W HA 0.215 4.875 4.660 0.000 0.000 0.327 203 W C -1.119 175.405 176.519 0.007 0.000 1.361 203 W CA 0.006 57.350 57.345 -0.002 0.000 1.234 203 W CB 0.540 30.006 29.460 0.009 0.000 1.212 203 W HN 0.071 nan 8.180 nan 0.000 0.557 204 D N 4.372 124.259 120.400 -0.854 0.000 2.491 204 D HA 0.290 4.931 4.640 0.000 0.000 0.232 204 D C -0.135 175.631 176.300 -0.890 0.000 1.334 204 D CA -0.147 53.438 54.000 -0.691 0.000 0.909 204 D CB 0.016 40.632 40.800 -0.307 0.000 1.513 204 D HN 0.402 nan 8.370 nan 0.000 0.514 205 G N 0.528 108.676 108.800 -1.085 0.000 2.990 205 G HA2 0.382 4.343 3.960 0.000 0.000 0.208 205 G HA3 0.382 4.343 3.960 0.000 0.000 0.208 205 G C 0.361 175.093 174.900 -0.279 0.000 1.334 205 G CA -0.530 44.150 45.100 -0.702 0.000 1.024 205 G HN 0.304 nan 8.290 nan 0.000 0.574 206 L N -0.635 120.516 121.223 -0.120 0.000 2.145 206 L HA 0.466 4.806 4.340 0.000 0.000 0.201 206 L C 1.228 178.128 176.870 0.049 0.000 1.075 206 L CA 1.920 56.753 54.840 -0.012 0.000 0.773 206 L CB -0.431 41.656 42.059 0.046 0.000 0.936 206 L HN 0.690 nan 8.230 nan 0.000 0.451 207 G N -3.673 105.196 108.800 0.114 0.000 2.798 207 G HA2 0.481 4.441 3.960 0.000 0.000 0.286 207 G HA3 0.481 4.441 3.960 0.000 0.000 0.286 207 G C -0.335 174.721 174.900 0.260 0.000 1.389 207 G CA -0.176 45.023 45.100 0.164 0.000 0.894 207 G HN -0.058 nan 8.290 nan 0.000 0.488 208 M N -1.137 118.612 119.600 0.248 0.000 2.818 208 M HA -0.174 4.306 4.480 0.000 0.000 0.194 208 M C 1.538 178.097 176.300 0.430 0.000 0.586 208 M CA 0.532 56.012 55.300 0.300 0.000 0.664 208 M CB -1.833 30.965 32.600 0.329 0.000 2.418 208 M HN 0.817 nan 8.290 nan 0.000 0.517 209 R N 0.107 120.809 120.500 0.337 0.000 2.117 209 R HA -0.025 4.315 4.340 0.000 0.000 0.243 209 R C 2.120 178.636 176.300 0.359 0.000 1.143 209 R CA 1.902 58.202 56.100 0.333 0.000 0.968 209 R CB -0.216 30.168 30.300 0.140 0.000 0.863 209 R HN 0.595 nan 8.270 nan 0.000 0.444 210 A N 1.145 124.124 122.820 0.265 0.000 2.119 210 A HA -0.033 4.287 4.320 0.000 0.000 0.217 210 A C 1.029 178.811 177.584 0.330 0.000 1.153 210 A CA 0.541 52.724 52.037 0.244 0.000 0.692 210 A CB -0.238 18.853 19.000 0.150 0.000 0.799 210 A HN 0.385 nan 8.150 nan 0.000 0.458 211 S N -0.928 114.962 115.700 0.317 0.000 2.593 211 S HA 0.415 4.885 4.470 0.000 0.000 0.269 211 S C 0.818 175.559 174.600 0.235 0.000 1.334 211 S CA -0.051 58.333 58.200 0.307 0.000 1.015 211 S CB 1.225 64.510 63.200 0.142 0.000 0.912 211 S HN 0.613 nan 8.310 nan 0.000 0.541 212 G N 0.709 109.569 108.800 0.101 0.000 3.709 212 G HA2 0.322 4.283 3.960 0.000 0.000 0.272 212 G HA3 0.322 4.283 3.960 0.000 0.000 0.272 212 G C -0.038 174.680 174.900 -0.304 0.000 1.259 212 G CA -0.664 44.302 45.100 -0.223 0.000 1.512 212 G HN 0.727 nan 8.290 nan 0.000 0.625 213 T N 2.200 116.454 114.554 -0.500 0.000 3.462 213 T HA 0.287 4.637 4.350 0.000 0.000 0.257 213 T C 0.510 174.877 174.700 -0.556 0.000 1.015 213 T CA 0.322 61.972 62.100 -0.751 0.000 1.135 213 T CB -0.129 67.885 68.868 -1.424 0.000 1.061 213 T HN 0.147 nan 8.240 nan 0.000 0.772 214 L N 1.472 122.534 121.223 -0.269 0.000 2.331 214 L HA 0.581 4.921 4.340 0.000 0.000 0.268 214 L C 0.538 177.333 176.870 -0.125 0.000 1.015 214 L CA -1.174 53.598 54.840 -0.113 0.000 0.807 214 L CB 1.411 43.419 42.059 -0.084 0.000 1.293 214 L HN 0.357 nan 8.230 nan 0.000 0.451 215 E N 0.848 121.003 120.200 -0.076 0.000 2.156 215 E HA 0.395 4.746 4.350 0.000 0.000 0.279 215 E C -1.510 174.981 176.600 -0.182 0.000 0.965 215 E CA -0.549 55.788 56.400 -0.106 0.000 0.789 215 E CB 2.108 31.780 29.700 -0.045 0.000 1.098 215 E HN 0.367 nan 8.360 nan 0.000 0.397 216 V N 6.395 126.133 119.914 -0.294 0.000 2.378 216 V HA 0.445 4.565 4.120 0.000 0.000 0.288 216 V C -0.463 175.240 176.094 -0.651 0.000 1.016 216 V CA -0.516 61.489 62.300 -0.492 0.000 0.840 216 V CB 1.216 32.589 31.823 -0.750 0.000 0.994 216 V HN 0.555 nan 8.190 nan 0.000 0.431 217 V N 4.636 124.226 119.914 -0.539 0.000 2.863 217 V HA 0.733 4.853 4.120 0.000 0.000 0.307 217 V C -0.774 174.925 176.094 -0.660 0.000 1.061 217 V CA -0.447 61.594 62.300 -0.432 0.000 1.024 217 V CB 1.477 33.199 31.823 -0.169 0.000 1.049 217 V HN 0.717 nan 8.190 nan 0.000 0.471 218 F N 1.596 121.555 119.950 0.014 0.000 2.553 218 F HA 0.544 5.071 4.527 0.000 0.000 0.335 218 F C -0.406 175.422 175.800 0.048 0.000 1.148 218 F CA -0.611 57.411 58.000 0.037 0.000 0.963 218 F CB 1.616 40.639 39.000 0.039 0.000 1.217 218 F HN 0.638 nan 8.300 nan 0.000 0.441 219 D N 3.364 123.877 120.400 0.189 0.000 2.461 219 D HA 0.427 5.067 4.640 0.000 0.000 0.240 219 D C -0.153 176.230 176.300 0.138 0.000 1.094 219 D CA -0.406 53.676 54.000 0.138 0.000 0.868 219 D CB 0.443 41.291 40.800 0.081 0.000 1.062 219 D HN 0.549 nan 8.370 nan 0.000 0.530 220 R N 2.050 122.640 120.500 0.149 0.000 3.209 220 R HA -0.153 4.187 4.340 0.000 0.000 0.252 220 R C -0.682 175.699 176.300 0.135 0.000 0.958 220 R CA 0.286 56.467 56.100 0.133 0.000 0.651 220 R CB -2.482 27.877 30.300 0.098 0.000 1.142 220 R HN 0.391 nan 8.270 nan 0.000 0.441 221 C N 2.143 121.539 119.300 0.160 0.000 2.373 221 C HA 0.329 4.789 4.460 0.000 0.000 0.354 221 C C -0.906 174.161 174.990 0.128 0.000 1.249 221 C CA -1.375 57.735 59.018 0.155 0.000 1.784 221 C CB 0.061 27.921 27.740 0.199 0.000 2.408 221 C HN 0.380 nan 8.230 nan 0.000 0.542 222 P HA 0.348 nan 4.420 nan 0.000 0.272 222 P C -0.695 176.671 177.300 0.110 0.000 1.240 222 P CA 0.242 63.408 63.100 0.109 0.000 0.791 222 P CB 1.229 32.978 31.700 0.083 0.000 0.978 223 V N -1.100 118.891 119.914 0.129 0.000 2.915 223 V HA 0.528 4.648 4.120 0.000 0.000 0.273 223 V C -0.618 175.574 176.094 0.163 0.000 1.538 223 V CA -0.458 61.913 62.300 0.118 0.000 0.946 223 V CB 1.465 33.342 31.823 0.090 0.000 1.183 223 V HN 0.937 nan 8.190 nan 0.000 0.446 224 R N 3.941 124.512 120.500 0.118 0.000 2.490 224 R HA 0.899 5.239 4.340 0.000 0.000 0.280 224 R C 0.539 176.927 176.300 0.148 0.000 1.077 224 R CA 0.418 56.596 56.100 0.130 0.000 1.065 224 R CB 0.934 31.281 30.300 0.077 0.000 1.003 224 R HN 2.348 nan 8.270 nan 0.000 0.470 229 L N 4.093 125.280 121.223 -0.059 0.000 2.401 229 L HA 0.412 4.752 4.340 0.000 0.000 0.283 229 L C 0.284 177.102 176.870 -0.086 0.000 1.151 229 L CA 0.353 55.161 54.840 -0.054 0.000 0.942 229 L CB -0.186 41.855 42.059 -0.029 0.000 1.283 229 L HN 0.429 nan 8.230 nan 0.000 0.442 230 E N 5.263 125.406 120.200 -0.095 0.000 2.376 230 E HA 0.199 4.549 4.350 0.000 0.000 0.266 230 E C -0.234 176.327 176.600 -0.066 0.000 1.009 230 E CA 0.187 56.523 56.400 -0.108 0.000 0.902 230 E CB 0.801 30.409 29.700 -0.153 0.000 0.972 230 E HN 0.579 nan 8.360 nan 0.000 0.439 231 R N 0.459 120.942 120.500 -0.029 0.000 2.939 231 R HA 0.534 4.875 4.340 0.000 0.000 0.254 231 R C 0.529 176.883 176.300 0.091 0.000 1.123 231 R CA -0.871 55.239 56.100 0.018 0.000 1.020 231 R CB 1.149 31.462 30.300 0.021 0.000 1.206 231 R HN 0.546 nan 8.270 nan 0.000 0.491 232 G N 1.313 110.176 108.800 0.104 0.000 2.716 232 G HA2 0.158 4.118 3.960 0.000 0.000 0.251 232 G HA3 0.158 4.118 3.960 0.000 0.000 0.251 232 G C -2.113 172.915 174.900 0.214 0.000 1.224 232 G CA -0.739 44.465 45.100 0.173 0.000 0.891 232 G HN 0.337 nan 8.290 nan 0.000 0.561 233 P HA 0.166 nan 4.420 nan 0.000 0.271 233 P C 0.689 177.969 177.300 -0.033 0.000 1.216 233 P CA -0.241 62.830 63.100 -0.050 0.000 0.771 233 P CB 1.022 32.578 31.700 -0.241 0.000 0.864 234 V N 0.043 119.925 119.914 -0.053 0.000 3.484 234 V HA 0.343 4.463 4.120 0.000 0.000 0.304 234 V C 1.553 177.627 176.094 -0.033 0.000 1.116 234 V CA 0.834 63.119 62.300 -0.025 0.000 1.187 234 V CB -1.021 30.786 31.823 -0.027 0.000 1.062 234 V HN 0.992 nan 8.190 nan 0.000 0.489 235 G N 1.754 110.545 108.800 -0.015 0.000 3.757 235 G HA2 -0.122 3.838 3.960 0.000 0.000 0.215 235 G HA3 -0.122 3.838 3.960 0.000 0.000 0.215 235 G C 0.798 175.695 174.900 -0.005 0.000 1.411 235 G CA 0.273 45.364 45.100 -0.015 0.000 0.896 235 G HN 2.307 nan 8.290 nan 0.000 0.581 236 A N 1.450 124.267 122.820 -0.005 0.000 3.157 236 A HA 0.763 5.084 4.320 0.000 0.000 0.276 236 A C 0.740 178.334 177.584 0.017 0.000 1.524 236 A CA 1.547 53.586 52.037 0.004 0.000 1.236 236 A CB -0.801 18.200 19.000 0.002 0.000 1.173 236 A HN 1.820 nan 8.150 nan 0.000 0.595 237 R N 0.275 120.787 120.500 0.021 0.000 2.229 237 R HA 0.692 5.033 4.340 0.000 0.000 0.328 237 R C 0.466 176.786 176.300 0.032 0.000 1.009 237 R CA 0.216 56.334 56.100 0.030 0.000 0.864 237 R CB -0.425 29.895 30.300 0.034 0.000 1.085 237 R HN 1.225 nan 8.270 nan 0.000 0.453 238 R N 1.002 121.521 120.500 0.032 0.000 2.822 238 R HA 0.184 4.525 4.340 0.000 0.000 0.277 238 R C 0.275 176.599 176.300 0.040 0.000 1.102 238 R CA 0.458 56.577 56.100 0.032 0.000 1.207 238 R CB -0.070 30.247 30.300 0.028 0.000 1.139 238 R HN 0.849 nan 8.270 nan 0.000 0.557 239 D N -0.103 120.323 120.400 0.042 0.000 2.363 239 D HA 0.080 4.720 4.640 0.000 0.000 0.226 239 D C 1.772 178.099 176.300 0.045 0.000 1.020 239 D CA 1.356 55.391 54.000 0.058 0.000 0.892 239 D CB 0.076 40.913 40.800 0.061 0.000 0.900 239 D HN 0.699 nan 8.370 nan 0.000 0.531 240 A N 0.212 123.051 122.820 0.031 0.000 2.066 240 A HA -0.067 4.254 4.320 0.000 0.000 0.218 240 A C 2.194 179.783 177.584 0.008 0.000 1.157 240 A CA 0.518 52.566 52.037 0.018 0.000 0.670 240 A CB -0.372 18.641 19.000 0.021 0.000 0.804 240 A HN 0.206 nan 8.150 nan 0.000 0.453 241 V N -0.052 119.873 119.914 0.017 0.000 2.809 241 V HA -0.122 3.998 4.120 0.000 0.000 0.256 241 V C 2.137 178.225 176.094 -0.009 0.000 1.080 241 V CA 1.500 63.805 62.300 0.007 0.000 1.102 241 V CB -0.479 31.357 31.823 0.021 0.000 0.705 241 V HN 0.597 nan 8.190 nan 0.000 0.475 242 L N 0.155 121.383 121.223 0.007 0.000 2.131 242 L HA -0.106 4.234 4.340 0.000 0.000 0.210 242 L C 2.743 179.600 176.870 -0.021 0.000 1.092 242 L CA 1.443 56.283 54.840 0.001 0.000 0.759 242 L CB -0.798 41.291 42.059 0.050 0.000 0.903 242 L HN 0.438 nan 8.230 nan 0.000 0.435 243 A N 0.328 123.125 122.820 -0.037 0.000 1.898 243 A HA -0.099 4.221 4.320 0.000 0.000 0.216 243 A C 2.421 179.929 177.584 -0.127 0.000 1.181 243 A CA 1.657 53.647 52.037 -0.078 0.000 0.620 243 A CB -1.136 17.799 19.000 -0.108 0.000 0.819 243 A HN 0.421 nan 8.150 nan 0.000 0.442 244 G N -0.860 107.861 108.800 -0.132 0.000 2.421 244 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 244 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 244 G C 1.598 176.438 174.900 -0.100 0.000 1.171 244 G CA 0.982 45.995 45.100 -0.145 0.000 0.775 244 G HN 0.617 nan 8.290 nan 0.000 0.543 245 Q N -0.216 119.541 119.800 -0.072 0.000 2.124 245 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 245 Q C 2.836 178.821 176.000 -0.026 0.000 0.977 245 Q CA 1.656 57.421 55.803 -0.064 0.000 0.850 245 Q CB -0.232 28.448 28.738 -0.097 0.000 0.901 245 Q HN 0.432 nan 8.270 nan 0.000 0.429 246 T N 0.444 114.991 114.554 -0.011 0.000 2.643 246 T HA -0.144 4.206 4.350 0.000 0.000 0.264 246 T C 1.874 176.478 174.700 -0.161 0.000 1.045 246 T CA 1.322 63.430 62.100 0.013 0.000 1.155 246 T CB -0.537 68.343 68.868 0.020 0.000 0.863 246 T HN 0.165 nan 8.240 nan 0.000 0.420 247 V N 1.434 121.262 119.914 -0.144 0.000 2.568 247 V HA -0.196 3.924 4.120 0.000 0.000 0.253 247 V C 2.360 178.376 176.094 -0.130 0.000 1.072 247 V CA 2.145 64.351 62.300 -0.156 0.000 1.084 247 V CB -0.735 30.996 31.823 -0.154 0.000 0.676 247 V HN 0.466 nan 8.190 nan 0.000 0.469 248 S N 0.648 116.290 115.700 -0.096 0.000 2.355 248 S HA -0.111 4.359 4.470 0.000 0.000 0.222 248 S C 1.609 176.233 174.600 0.040 0.000 1.031 248 S CA 1.674 59.840 58.200 -0.057 0.000 0.993 248 S CB -0.141 63.035 63.200 -0.041 0.000 0.859 248 S HN 0.912 nan 8.310 nan 0.000 0.453 249 S N -0.427 115.294 115.700 0.035 0.000 2.846 249 S HA 0.361 4.831 4.470 0.000 0.000 0.249 249 S C 0.992 175.511 174.600 -0.135 0.000 1.028 249 S CA -0.479 57.771 58.200 0.085 0.000 1.043 249 S CB -0.353 62.913 63.200 0.109 0.000 0.990 249 S HN 0.431 nan 8.310 nan 0.000 0.564 250 I N 2.777 123.077 120.570 -0.450 0.000 2.439 250 I HA -0.132 4.038 4.170 0.000 0.000 0.251 250 I C 2.301 178.179 176.117 -0.399 0.000 1.139 250 I CA 1.759 62.503 61.300 -0.927 0.000 1.438 250 I CB -0.162 37.221 38.000 -1.027 0.000 1.085 250 I HN 0.546 nan 8.210 nan 0.000 0.427 251 T N -1.626 112.807 114.554 -0.202 0.000 3.051 251 T HA -0.094 4.256 4.350 0.000 0.000 0.269 251 T C 1.665 176.282 174.700 -0.137 0.000 1.127 251 T CA 0.811 62.836 62.100 -0.124 0.000 1.107 251 T CB -0.366 68.473 68.868 -0.049 0.000 0.898 251 T HN 0.338 nan 8.240 nan 0.000 0.517 252 M N 0.027 119.495 119.600 -0.220 0.000 2.394 252 M HA 0.136 4.617 4.480 0.000 0.000 0.264 252 M C 1.626 177.908 176.300 -0.030 0.000 1.073 252 M CA 0.722 55.870 55.300 -0.253 0.000 1.111 252 M CB -0.475 31.944 32.600 -0.302 0.000 1.401 252 M HN 0.208 nan 8.290 nan 0.000 0.448 253 L N 0.052 121.295 121.223 0.033 0.000 2.187 253 L HA -0.097 4.243 4.340 0.000 0.000 0.213 253 L C 2.541 179.449 176.870 0.064 0.000 1.100 253 L CA 1.611 56.531 54.840 0.134 0.000 0.765 253 L CB -1.292 40.822 42.059 0.092 0.000 0.904 253 L HN 0.309 nan 8.230 nan 0.000 0.437 254 G N -0.155 108.623 108.800 -0.037 0.000 2.422 254 G HA2 -0.264 3.697 3.960 0.000 0.000 0.218 254 G HA3 -0.264 3.697 3.960 0.000 0.000 0.218 254 G C 1.585 176.440 174.900 -0.075 0.000 1.146 254 G CA 0.946 46.005 45.100 -0.067 0.000 0.769 254 G HN 0.525 nan 8.290 nan 0.000 0.547 255 I N -2.190 118.294 120.570 -0.142 0.000 2.353 255 I HA 0.046 4.216 4.170 0.000 0.000 0.248 255 I C 2.320 178.268 176.117 -0.282 0.000 1.119 255 I CA 0.866 62.030 61.300 -0.227 0.000 1.417 255 I CB -0.444 37.359 38.000 -0.329 0.000 1.078 255 I HN 0.163 nan 8.210 nan 0.000 0.421 256 Y N 1.278 121.572 120.300 -0.009 0.000 2.263 256 Y HA 0.095 4.645 4.550 0.000 0.000 0.292 256 Y C 2.727 178.629 175.900 0.005 0.000 1.130 256 Y CA 1.294 59.394 58.100 0.001 0.000 1.179 256 Y CB -0.613 37.844 38.460 -0.004 0.000 0.998 256 Y HN 0.268 nan 8.280 nan 0.000 0.532 257 A N 0.148 123.036 122.820 0.114 0.000 1.969 257 A HA -0.088 4.232 4.320 0.000 0.000 0.218 257 A C 2.500 180.109 177.584 0.042 0.000 1.169 257 A CA 1.628 53.707 52.037 0.071 0.000 0.635 257 A CB -1.389 17.635 19.000 0.040 0.000 0.810 257 A HN 0.469 nan 8.150 nan 0.000 0.445 258 G N 0.253 109.059 108.800 0.009 0.000 2.421 258 G HA2 -0.178 3.783 3.960 0.000 0.000 0.216 258 G HA3 -0.178 3.783 3.960 0.000 0.000 0.216 258 G C 1.497 176.408 174.900 0.019 0.000 1.171 258 G CA 1.117 46.218 45.100 0.003 0.000 0.775 258 G HN 0.488 nan 8.290 nan 0.000 0.543 259 I N 1.369 121.948 120.570 0.015 0.000 2.286 259 I HA -0.148 4.022 4.170 0.000 0.000 0.248 259 I C 3.263 179.418 176.117 0.064 0.000 1.115 259 I CA 0.860 62.185 61.300 0.041 0.000 1.392 259 I CB -0.269 37.761 38.000 0.050 0.000 1.065 259 I HN 0.246 nan 8.210 nan 0.000 0.418 260 A N 0.550 123.414 122.820 0.074 0.000 1.858 260 A HA -0.288 4.032 4.320 0.000 0.000 0.216 260 A C 2.276 179.899 177.584 0.066 0.000 1.190 260 A CA 1.948 54.029 52.037 0.073 0.000 0.617 260 A CB -0.747 18.298 19.000 0.075 0.000 0.827 260 A HN 0.389 nan 8.150 nan 0.000 0.443 261 Q N 0.038 119.874 119.800 0.060 0.000 2.112 261 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 261 Q C 1.994 178.029 176.000 0.058 0.000 0.987 261 Q CA 2.451 58.289 55.803 0.058 0.000 0.858 261 Q CB -0.656 28.111 28.738 0.050 0.000 0.905 261 Q HN 0.580 nan 8.270 nan 0.000 0.420 262 A N 0.359 123.212 122.820 0.055 0.000 1.851 262 A HA -0.086 4.234 4.320 0.000 0.000 0.216 262 A C 2.358 179.984 177.584 0.069 0.000 1.195 262 A CA 2.305 54.377 52.037 0.058 0.000 0.622 262 A CB -1.493 17.539 19.000 0.054 0.000 0.831 262 A HN 0.578 nan 8.150 nan 0.000 0.444 263 A N -0.545 122.318 122.820 0.072 0.000 1.917 263 A HA -0.241 4.079 4.320 0.000 0.000 0.219 263 A C 2.285 179.912 177.584 0.072 0.000 1.182 263 A CA 2.008 54.090 52.037 0.075 0.000 0.633 263 A CB -0.596 18.449 19.000 0.075 0.000 0.819 263 A HN 0.569 nan 8.150 nan 0.000 0.448 264 R N -0.442 120.100 120.500 0.070 0.000 2.082 264 R HA -0.197 4.143 4.340 0.000 0.000 0.234 264 R C 1.662 178.008 176.300 0.076 0.000 1.136 264 R CA 2.019 58.161 56.100 0.070 0.000 0.935 264 R CB -0.542 29.799 30.300 0.068 0.000 0.842 264 R HN 0.470 nan 8.270 nan 0.000 0.430 265 D N 0.495 120.939 120.400 0.074 0.000 2.149 265 D HA -0.213 4.428 4.640 0.000 0.000 0.194 265 D C 1.899 178.255 176.300 0.093 0.000 1.001 265 D CA 1.347 55.392 54.000 0.075 0.000 0.849 265 D CB -0.170 40.670 40.800 0.065 0.000 0.939 265 D HN 0.239 nan 8.370 nan 0.000 0.449 266 I N 1.081 121.712 120.570 0.102 0.000 2.094 266 I HA -0.189 3.981 4.170 0.000 0.000 0.234 266 I C 2.608 178.820 176.117 0.159 0.000 1.063 266 I CA 0.979 62.360 61.300 0.135 0.000 1.328 266 I CB -1.599 36.487 38.000 0.143 0.000 1.058 266 I HN -0.086 nan 8.210 nan 0.000 0.400 267 A N 0.651 123.539 122.820 0.113 0.000 1.948 267 A HA -0.167 4.154 4.320 0.000 0.000 0.220 267 A C 2.550 180.232 177.584 0.163 0.000 1.177 267 A CA 2.188 54.287 52.037 0.104 0.000 0.636 267 A CB -1.054 17.974 19.000 0.047 0.000 0.815 267 A HN 0.293 nan 8.150 nan 0.000 0.449 268 V N -0.487 119.503 119.914 0.128 0.000 2.453 268 V HA -0.098 4.022 4.120 0.000 0.000 0.247 268 V C 2.745 178.913 176.094 0.125 0.000 1.048 268 V CA 1.722 64.091 62.300 0.115 0.000 1.049 268 V CB -1.165 30.707 31.823 0.082 0.000 0.672 268 V HN 0.621 nan 8.190 nan 0.000 0.457 269 G N -1.013 107.866 108.800 0.133 0.000 2.443 269 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 269 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 269 G C 1.501 176.486 174.900 0.142 0.000 1.131 269 G CA 0.798 45.967 45.100 0.115 0.000 0.775 269 G HN 0.522 nan 8.290 nan 0.000 0.547 270 F N 0.237 120.217 119.950 0.050 0.000 2.270 270 F HA 0.104 4.631 4.527 0.000 0.000 0.295 270 F C 2.455 178.279 175.800 0.041 0.000 1.087 270 F CA 0.769 58.800 58.000 0.053 0.000 1.365 270 F CB -0.388 38.660 39.000 0.080 0.000 1.056 270 F HN 0.167 nan 8.300 nan 0.000 0.506 271 C N 0.407 119.881 119.300 0.289 0.000 2.457 271 C HA 0.133 4.594 4.460 0.000 0.000 0.278 271 C C 3.042 178.048 174.990 0.026 0.000 1.309 271 C CA 1.235 60.354 59.018 0.168 0.000 1.735 271 C CB -1.670 26.178 27.740 0.180 0.000 1.992 271 C HN 0.589 nan 8.230 nan 0.000 0.493 272 A N -0.146 122.691 122.820 0.028 0.000 1.968 272 A HA 0.169 4.490 4.320 0.000 0.000 0.217 272 A C 2.184 179.742 177.584 -0.043 0.000 1.169 272 A CA 1.579 53.616 52.037 0.000 0.000 0.638 272 A CB -1.011 18.000 19.000 0.017 0.000 0.812 272 A HN 0.628 nan 8.150 nan 0.000 0.446 273 G N -1.102 107.650 108.800 -0.080 0.000 3.061 273 G HA2 0.069 4.029 3.960 0.000 0.000 0.208 273 G HA3 0.069 4.029 3.960 0.000 0.000 0.208 273 G C 1.289 176.072 174.900 -0.194 0.000 1.175 273 G CA 0.580 45.605 45.100 -0.125 0.000 0.812 273 G HN 0.438 nan 8.290 nan 0.000 0.523 274 R N 0.358 120.748 120.500 -0.183 0.000 2.189 274 R HA 0.336 4.676 4.340 0.000 0.000 0.203 274 R C 1.369 177.612 176.300 -0.095 0.000 1.012 274 R CA 0.962 56.955 56.100 -0.178 0.000 1.015 274 R CB -0.284 29.927 30.300 -0.147 0.000 0.938 274 R HN 0.474 nan 8.270 nan 0.000 0.472 275 G N -1.109 107.651 108.800 -0.066 0.000 2.814 275 G HA2 0.231 4.191 3.960 0.000 0.000 0.677 275 G HA3 0.231 4.191 3.960 0.000 0.000 0.677 275 G C 0.497 175.381 174.900 -0.028 0.000 1.429 275 G CA -0.356 44.719 45.100 -0.042 0.000 0.868 275 G HN 0.971 nan 8.290 nan 0.000 0.553 276 G N -0.133 108.655 108.800 -0.019 0.000 2.528 276 G HA2 0.273 4.233 3.960 0.000 0.000 0.262 276 G HA3 0.273 4.233 3.960 0.000 0.000 0.262 276 G C 0.195 175.090 174.900 -0.007 0.000 1.200 276 G CA 1.316 46.408 45.100 -0.012 0.000 0.951 276 G HN 2.513 nan 8.290 nan 0.000 0.566 277 E N 1.951 122.149 120.200 -0.004 0.000 2.151 277 E HA 0.568 4.918 4.350 0.000 0.000 0.275 277 E C -2.301 174.302 176.600 0.005 0.000 0.936 277 E CA -1.838 54.563 56.400 0.001 0.000 0.777 277 E CB 1.708 31.410 29.700 0.002 0.000 1.108 277 E HN 0.606 nan 8.360 nan 0.000 0.401 278 P HA 0.230 nan 4.420 nan 0.000 0.275 278 P C -0.220 177.091 177.300 0.018 0.000 1.227 278 P CA -0.554 62.556 63.100 0.017 0.000 0.781 278 P CB 0.920 32.633 31.700 0.021 0.000 0.906 279 R N 1.581 122.095 120.500 0.023 0.000 2.784 279 R HA 0.261 4.601 4.340 0.000 0.000 0.266 279 R C 1.557 177.869 176.300 0.019 0.000 1.044 279 R CA 0.858 56.970 56.100 0.020 0.000 1.151 279 R CB -0.194 30.121 30.300 0.025 0.000 1.037 279 R HN 0.587 nan 8.270 nan 0.000 0.478 280 A N 2.524 125.353 122.820 0.015 0.000 1.841 280 A HA -0.131 4.189 4.320 0.000 0.000 0.216 280 A C 2.103 179.696 177.584 0.015 0.000 1.199 280 A CA 1.994 54.039 52.037 0.013 0.000 0.621 280 A CB -1.717 17.289 19.000 0.010 0.000 0.835 280 A HN 0.877 nan 8.150 nan 0.000 0.445 281 G N -0.815 107.994 108.800 0.015 0.000 2.475 281 G HA2 -0.042 3.918 3.960 0.000 0.000 0.220 281 G HA3 -0.042 3.918 3.960 0.000 0.000 0.220 281 G C 1.649 176.562 174.900 0.021 0.000 1.125 281 G CA 1.659 46.769 45.100 0.016 0.000 0.755 281 G HN 0.898 nan 8.290 nan 0.000 0.565 282 A N 0.917 123.753 122.820 0.027 0.000 1.898 282 A HA 0.024 4.344 4.320 0.000 0.000 0.216 282 A C 2.457 180.061 177.584 0.033 0.000 1.181 282 A CA 1.463 53.521 52.037 0.036 0.000 0.620 282 A CB -0.329 18.698 19.000 0.046 0.000 0.819 282 A HN 0.387 nan 8.150 nan 0.000 0.442 283 R N -0.283 120.233 120.500 0.026 0.000 2.096 283 R HA -0.055 4.285 4.340 0.000 0.000 0.235 283 R C 2.410 178.723 176.300 0.021 0.000 1.127 283 R CA 1.146 57.260 56.100 0.023 0.000 0.968 283 R CB -0.488 29.823 30.300 0.017 0.000 0.861 283 R HN 0.494 nan 8.270 nan 0.000 0.440 284 A N 1.506 124.338 122.820 0.019 0.000 1.898 284 A HA -0.101 4.219 4.320 0.000 0.000 0.216 284 A C 2.205 179.802 177.584 0.021 0.000 1.181 284 A CA 1.020 53.067 52.037 0.018 0.000 0.620 284 A CB -0.470 18.539 19.000 0.015 0.000 0.819 284 A HN 0.151 nan 8.150 nan 0.000 0.442 285 L N -0.796 120.442 121.223 0.024 0.000 1.976 285 L HA -0.157 4.184 4.340 0.000 0.000 0.209 285 L C 2.630 179.520 176.870 0.033 0.000 1.071 285 L CA 1.615 56.472 54.840 0.028 0.000 0.746 285 L CB -0.581 41.496 42.059 0.029 0.000 0.890 285 L HN 0.358 nan 8.230 nan 0.000 0.432 286 V N -0.085 119.851 119.914 0.036 0.000 2.392 286 V HA -0.282 3.839 4.120 0.000 0.000 0.249 286 V C 2.513 178.627 176.094 0.034 0.000 1.059 286 V CA 1.933 64.257 62.300 0.040 0.000 1.051 286 V CB -0.235 31.614 31.823 0.043 0.000 0.658 286 V HN 0.429 nan 8.190 nan 0.000 0.455 287 A N 0.123 122.959 122.820 0.027 0.000 1.898 287 A HA 0.042 4.362 4.320 0.000 0.000 0.216 287 A C 2.385 179.984 177.584 0.025 0.000 1.181 287 A CA 1.773 53.823 52.037 0.020 0.000 0.620 287 A CB -1.437 17.572 19.000 0.015 0.000 0.819 287 A HN 0.679 nan 8.150 nan 0.000 0.442 288 G N 0.656 109.473 108.800 0.028 0.000 2.421 288 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 288 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 288 G C 1.506 176.430 174.900 0.041 0.000 1.171 288 G CA 1.306 46.425 45.100 0.032 0.000 0.775 288 G HN 0.801 nan 8.290 nan 0.000 0.543 289 L N -0.943 120.306 121.223 0.043 0.000 2.141 289 L HA 0.213 4.554 4.340 0.000 0.000 0.209 289 L C 1.852 178.760 176.870 0.062 0.000 1.094 289 L CA 1.965 56.836 54.840 0.051 0.000 0.763 289 L CB -0.591 41.498 42.059 0.050 0.000 0.908 289 L HN -0.117 nan 8.230 nan 0.000 0.437 290 D N 0.457 120.891 120.400 0.057 0.000 2.144 290 D HA -0.135 4.505 4.640 0.000 0.000 0.199 290 D C 2.180 178.533 176.300 0.088 0.000 0.984 290 D CA 1.891 55.930 54.000 0.065 0.000 0.834 290 D CB -0.224 40.600 40.800 0.040 0.000 0.955 290 D HN 0.477 nan 8.370 nan 0.000 0.465 291 T N 0.489 115.086 114.554 0.072 0.000 2.701 291 T HA -0.090 4.260 4.350 0.000 0.000 0.263 291 T C 2.002 176.782 174.700 0.134 0.000 1.040 291 T CA 0.884 63.041 62.100 0.095 0.000 1.147 291 T CB -0.124 68.781 68.868 0.062 0.000 0.865 291 T HN 0.137 nan 8.240 nan 0.000 0.426 292 R N 0.483 121.039 120.500 0.093 0.000 2.091 292 R HA -0.017 4.324 4.340 0.000 0.000 0.238 292 R C 2.434 178.789 176.300 0.093 0.000 1.136 292 R CA 1.007 57.156 56.100 0.082 0.000 0.959 292 R CB -0.677 29.657 30.300 0.058 0.000 0.856 292 R HN 0.216 nan 8.270 nan 0.000 0.437 293 L N 0.048 121.333 121.223 0.104 0.000 2.046 293 L HA -0.209 4.131 4.340 0.000 0.000 0.208 293 L C 2.101 179.049 176.870 0.131 0.000 1.077 293 L CA 1.681 56.584 54.840 0.105 0.000 0.747 293 L CB -0.640 41.482 42.059 0.104 0.000 0.896 293 L HN 0.129 nan 8.230 nan 0.000 0.432 294 Y N -0.100 120.222 120.300 0.037 0.000 2.114 294 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 294 Y C 2.444 178.368 175.900 0.039 0.000 1.143 294 Y CA 2.082 60.205 58.100 0.038 0.000 1.135 294 Y CB -0.420 38.059 38.460 0.032 0.000 0.980 294 Y HN 0.260 nan 8.280 nan 0.000 0.499 295 A N 0.479 123.348 122.820 0.081 0.000 1.892 295 A HA -0.273 4.047 4.320 0.000 0.000 0.218 295 A C 2.186 179.741 177.584 -0.048 0.000 1.188 295 A CA 1.986 54.019 52.037 -0.007 0.000 0.631 295 A CB -1.393 17.646 19.000 0.065 0.000 0.822 295 A HN 0.660 nan 8.150 nan 0.000 0.447 296 L N -0.129 121.093 121.223 -0.002 0.000 1.989 296 L HA -0.203 4.138 4.340 0.000 0.000 0.211 296 L C 2.436 179.299 176.870 -0.012 0.000 1.071 296 L CA 2.446 57.291 54.840 0.009 0.000 0.749 296 L CB -0.519 41.561 42.059 0.036 0.000 0.890 296 L HN 0.379 nan 8.230 nan 0.000 0.431 297 R N -1.097 119.380 120.500 -0.039 0.000 2.075 297 R HA -0.071 4.269 4.340 0.000 0.000 0.232 297 R C 2.122 178.376 176.300 -0.077 0.000 1.126 297 R CA 1.692 57.767 56.100 -0.042 0.000 0.963 297 R CB -0.947 29.333 30.300 -0.033 0.000 0.858 297 R HN 0.417 nan 8.270 nan 0.000 0.435 298 T N 0.491 114.924 114.554 -0.202 0.000 2.708 298 T HA -0.133 4.217 4.350 0.000 0.000 0.266 298 T C 1.869 176.520 174.700 -0.082 0.000 1.037 298 T CA 1.915 63.886 62.100 -0.215 0.000 1.146 298 T CB -0.295 68.323 68.868 -0.416 0.000 0.865 298 T HN 0.307 nan 8.240 nan 0.000 0.435 299 T N 2.386 116.906 114.554 -0.057 0.000 2.674 299 T HA -0.120 4.231 4.350 0.000 0.000 0.265 299 T C 2.304 177.030 174.700 0.043 0.000 1.039 299 T CA 1.707 63.809 62.100 0.002 0.000 1.150 299 T CB -0.689 68.192 68.868 0.021 0.000 0.864 299 T HN 0.427 nan 8.240 nan 0.000 0.427 300 V N 0.727 120.670 119.914 0.048 0.000 2.720 300 V HA 0.043 4.164 4.120 0.000 0.000 0.256 300 V C 2.412 178.556 176.094 0.084 0.000 1.082 300 V CA 1.897 64.238 62.300 0.068 0.000 1.101 300 V CB -1.499 30.355 31.823 0.053 0.000 0.693 300 V HN 0.459 nan 8.190 nan 0.000 0.479 301 G N 0.100 108.957 108.800 0.095 0.000 2.414 301 G HA2 -0.083 3.878 3.960 0.000 0.000 0.215 301 G HA3 -0.083 3.878 3.960 0.000 0.000 0.215 301 G C 1.736 176.728 174.900 0.152 0.000 1.188 301 G CA 1.088 46.319 45.100 0.218 0.000 0.783 301 G HN 0.869 nan 8.290 nan 0.000 0.537 302 A N 1.103 123.958 122.820 0.059 0.000 1.930 302 A HA 0.330 4.650 4.320 0.000 0.000 0.217 302 A C 2.779 180.392 177.584 0.048 0.000 1.175 302 A CA 2.073 54.123 52.037 0.023 0.000 0.627 302 A CB -0.708 18.296 19.000 0.007 0.000 0.815 302 A HN 0.768 nan 8.150 nan 0.000 0.443 303 A N -0.330 122.536 122.820 0.077 0.000 1.972 303 A HA -0.021 4.299 4.320 0.000 0.000 0.219 303 A C 2.158 179.779 177.584 0.061 0.000 1.169 303 A CA 1.479 53.572 52.037 0.094 0.000 0.635 303 A CB -0.491 18.589 19.000 0.133 0.000 0.810 303 A HN 0.479 nan 8.150 nan 0.000 0.446 304 L N -0.454 120.814 121.223 0.075 0.000 2.007 304 L HA -0.126 4.214 4.340 0.000 0.000 0.205 304 L C 2.969 179.883 176.870 0.073 0.000 1.073 304 L CA 1.762 56.650 54.840 0.079 0.000 0.744 304 L CB -0.994 41.178 42.059 0.189 0.000 0.898 304 L HN 0.586 nan 8.230 nan 0.000 0.435 305 T N -3.234 111.352 114.554 0.054 0.000 2.946 305 T HA -0.200 4.150 4.350 0.000 0.000 0.271 305 T C 1.448 176.133 174.700 -0.024 0.000 1.104 305 T CA 1.713 63.783 62.100 -0.050 0.000 1.114 305 T CB -0.544 68.215 68.868 -0.181 0.000 0.867 305 T HN 0.261 nan 8.240 nan 0.000 0.513 306 N N 1.290 119.992 118.700 0.004 0.000 2.368 306 N HA 0.247 4.987 4.740 0.000 0.000 0.176 306 N C 1.979 177.496 175.510 0.012 0.000 1.021 306 N CA 0.822 53.880 53.050 0.012 0.000 0.888 306 N CB -0.442 38.067 38.487 0.036 0.000 0.995 306 N HN 0.449 nan 8.380 nan 0.000 0.437 307 A N -0.119 122.704 122.820 0.006 0.000 2.014 307 A HA -0.014 4.306 4.320 0.000 0.000 0.218 307 A C 1.519 179.092 177.584 -0.018 0.000 1.163 307 A CA 1.227 53.256 52.037 -0.013 0.000 0.652 307 A CB -0.234 18.736 19.000 -0.049 0.000 0.808 307 A HN 0.259 nan 8.150 nan 0.000 0.449 308 D N 0.106 120.501 120.400 -0.008 0.000 2.162 308 D HA 0.053 4.694 4.640 0.000 0.000 0.203 308 D C 2.158 178.456 176.300 -0.003 0.000 0.967 308 D CA 1.338 55.336 54.000 -0.003 0.000 0.840 308 D CB -0.285 40.520 40.800 0.008 0.000 0.972 308 D HN 0.394 nan 8.370 nan 0.000 0.482 309 A N 0.651 123.467 122.820 -0.006 0.000 2.014 309 A HA 0.124 4.444 4.320 0.000 0.000 0.218 309 A C 2.107 179.691 177.584 -0.000 0.000 1.163 309 A CA 1.584 53.619 52.037 -0.004 0.000 0.652 309 A CB -0.208 18.787 19.000 -0.008 0.000 0.808 309 A HN 0.204 nan 8.150 nan 0.000 0.449 310 A N -1.240 121.580 122.820 -0.001 0.000 2.238 310 A HA 0.239 4.559 4.320 0.000 0.000 0.210 310 A C 2.141 179.718 177.584 -0.012 0.000 1.179 310 A CA 1.252 53.288 52.037 -0.002 0.000 0.827 310 A CB -0.409 18.593 19.000 0.004 0.000 0.856 310 A HN 0.472 nan 8.150 nan 0.000 0.488 311 S N -0.877 114.814 115.700 -0.014 0.000 2.388 311 S HA -0.072 4.398 4.470 0.000 0.000 0.223 311 S C 1.835 176.440 174.600 0.010 0.000 1.034 311 S CA 1.461 59.647 58.200 -0.023 0.000 0.963 311 S CB -0.238 62.946 63.200 -0.027 0.000 0.827 311 S HN 0.383 nan 8.310 nan 0.000 0.481 312 V N 1.669 121.596 119.914 0.022 0.000 2.871 312 V HA 0.041 4.161 4.120 0.000 0.000 0.256 312 V C 0.355 176.469 176.094 0.032 0.000 1.082 312 V CA 1.574 63.898 62.300 0.041 0.000 1.105 312 V CB -0.375 31.469 31.823 0.035 0.000 0.713 312 V HN 0.585 nan 8.190 nan 0.000 0.473 313 D N 0.057 120.467 120.400 0.016 0.000 2.494 313 D HA 0.136 4.777 4.640 0.000 0.000 0.217 313 D C 0.775 177.076 176.300 0.002 0.000 1.153 313 D CA 0.072 54.078 54.000 0.010 0.000 0.954 313 D CB -0.012 40.792 40.800 0.006 0.000 1.034 313 D HN 0.367 nan 8.370 nan 0.000 0.518 314 L N 1.946 123.168 121.223 -0.002 0.000 2.612 314 L HA 0.120 4.460 4.340 0.000 0.000 0.230 314 L C 1.079 177.937 176.870 -0.020 0.000 1.140 314 L CA -0.238 54.588 54.840 -0.023 0.000 0.896 314 L CB -0.479 41.540 42.059 -0.067 0.000 1.065 314 L HN 0.299 nan 8.230 nan 0.000 0.447 318 P HA 0.033 nan 4.420 nan 0.000 0.225 318 P C 0.253 177.558 177.300 0.009 0.000 1.156 318 P CA 0.660 63.763 63.100 0.006 0.000 0.787 318 P CB 0.668 32.373 31.700 0.009 0.000 0.802 319 D N -0.268 120.140 120.400 0.013 0.000 2.240 319 D HA -0.067 4.573 4.640 0.000 0.000 0.206 319 D C 2.011 178.324 176.300 0.023 0.000 0.963 319 D CA 0.706 54.718 54.000 0.019 0.000 0.863 319 D CB -0.225 40.586 40.800 0.018 0.000 0.973 319 D HN 0.109 nan 8.370 nan 0.000 0.501 320 E N 1.163 121.373 120.200 0.017 0.000 2.047 320 E HA -0.135 4.215 4.350 0.000 0.000 0.191 320 E C 2.037 178.652 176.600 0.024 0.000 0.987 320 E CA 0.706 57.118 56.400 0.020 0.000 0.799 320 E CB -0.130 29.578 29.700 0.014 0.000 0.752 320 E HN 0.327 nan 8.360 nan 0.000 0.449 321 R N 0.317 120.825 120.500 0.014 0.000 2.341 321 R HA 0.001 4.342 4.340 0.000 0.000 0.213 321 R C 1.975 178.281 176.300 0.010 0.000 1.082 321 R CA 1.342 57.447 56.100 0.008 0.000 1.017 321 R CB -1.099 29.196 30.300 -0.007 0.000 0.860 321 R HN 0.118 nan 8.270 nan 0.000 0.473 322 G N 0.643 109.456 108.800 0.022 0.000 2.441 322 G HA2 -0.084 3.876 3.960 0.000 0.000 0.212 322 G HA3 -0.084 3.876 3.960 0.000 0.000 0.212 322 G C 1.405 176.347 174.900 0.071 0.000 1.164 322 G CA -0.064 45.055 45.100 0.032 0.000 0.811 322 G HN 0.296 nan 8.290 nan 0.000 0.535 323 R N 0.078 120.629 120.500 0.085 0.000 2.075 323 R HA 0.114 4.454 4.340 0.000 0.000 0.226 323 R C 2.981 179.353 176.300 0.120 0.000 1.114 323 R CA 1.062 57.241 56.100 0.131 0.000 0.972 323 R CB -0.364 29.993 30.300 0.095 0.000 0.869 323 R HN 0.295 nan 8.270 nan 0.000 0.437 324 R N 1.020 121.569 120.500 0.082 0.000 2.200 324 R HA -0.065 4.275 4.340 0.000 0.000 0.234 324 R C 1.841 178.193 176.300 0.087 0.000 1.127 324 R CA 1.873 58.020 56.100 0.078 0.000 0.989 324 R CB -0.947 29.383 30.300 0.050 0.000 0.869 324 R HN 0.287 nan 8.270 nan 0.000 0.459 325 M N -1.895 117.754 119.600 0.081 0.000 2.556 325 M HA 0.192 4.672 4.480 0.000 0.000 0.259 325 M C 2.437 178.820 176.300 0.137 0.000 1.175 325 M CA 1.147 56.495 55.300 0.080 0.000 1.202 325 M CB 0.121 32.741 32.600 0.032 0.000 1.298 325 M HN 0.336 nan 8.290 nan 0.000 0.492 326 M N 0.543 120.220 119.600 0.128 0.000 2.213 326 M HA -0.110 4.371 4.480 0.000 0.000 0.263 326 M C 1.816 178.156 176.300 0.066 0.000 1.062 326 M CA 1.937 57.300 55.300 0.105 0.000 1.105 326 M CB -0.579 32.019 32.600 -0.002 0.000 1.385 326 M HN 0.125 nan 8.290 nan 0.000 0.417 327 T N 1.925 116.576 114.554 0.161 0.000 2.639 327 T HA -0.035 4.316 4.350 0.000 0.000 0.261 327 T C -0.855 173.884 174.700 0.065 0.000 1.053 327 T CA 1.988 64.164 62.100 0.126 0.000 1.158 327 T CB -1.504 67.468 68.868 0.173 0.000 0.863 327 T HN 0.359 nan 8.240 nan 0.000 0.413 328 P HA -0.119 nan 4.420 nan 0.000 0.221 328 P C 1.469 178.963 177.300 0.322 0.000 1.145 328 P CA 1.094 64.424 63.100 0.383 0.000 0.795 328 P CB -0.314 31.543 31.700 0.261 0.000 0.775 329 F N 1.309 121.290 119.950 0.053 0.000 2.051 329 F HA -0.201 4.327 4.527 0.000 0.000 0.296 329 F C 2.263 178.055 175.800 -0.013 0.000 1.122 329 F CA 0.920 58.923 58.000 0.005 0.000 1.201 329 F CB -0.367 38.603 39.000 -0.051 0.000 0.978 329 F HN -0.186 nan 8.300 nan 0.000 0.472 330 Q N 0.110 119.770 119.800 -0.233 0.000 2.226 330 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 330 Q C 1.755 177.663 176.000 -0.153 0.000 0.975 330 Q CA 1.398 56.963 55.803 -0.395 0.000 0.866 330 Q CB -0.775 27.721 28.738 -0.404 0.000 0.915 330 Q HN 0.595 nan 8.270 nan 0.000 0.440 331 Y N 0.158 120.479 120.300 0.034 0.000 2.220 331 Y HA -0.089 4.462 4.550 0.001 0.000 0.291 331 Y C 2.351 178.281 175.900 0.050 0.000 1.129 331 Y CA 0.889 59.016 58.100 0.044 0.000 1.161 331 Y CB -0.707 37.787 38.460 0.057 0.000 0.997 331 Y HN 0.112 nan 8.280 nan 0.000 0.522 332 A N -0.100 122.873 122.820 0.256 0.000 1.898 332 A HA -0.199 4.121 4.320 0.000 0.000 0.216 332 A C 2.262 179.934 177.584 0.146 0.000 1.181 332 A CA 1.801 53.953 52.037 0.192 0.000 0.620 332 A CB -0.600 18.530 19.000 0.216 0.000 0.819 332 A HN 0.390 nan 8.150 nan 0.000 0.442 333 K N -1.110 119.373 120.400 0.138 0.000 2.026 333 K HA -0.182 4.139 4.320 0.000 0.000 0.208 333 K C 2.088 178.689 176.600 0.001 0.000 1.048 333 K CA 1.890 58.208 56.287 0.053 0.000 0.929 333 K CB -0.258 32.186 32.500 -0.094 0.000 0.713 333 K HN 0.392 nan 8.250 nan 0.000 0.439 334 M N 0.623 120.230 119.600 0.011 0.000 2.144 334 M HA -0.179 4.301 4.480 0.000 0.000 0.260 334 M C 1.676 178.006 176.300 0.050 0.000 1.067 334 M CA 1.928 57.252 55.300 0.039 0.000 1.095 334 M CB -0.220 32.426 32.600 0.076 0.000 1.365 334 M HN 0.123 nan 8.290 nan 0.000 0.406 335 T N -0.821 113.773 114.554 0.066 0.000 2.732 335 T HA -0.104 4.246 4.350 0.000 0.000 0.261 335 T C 1.771 176.486 174.700 0.025 0.000 1.040 335 T CA 1.582 63.714 62.100 0.053 0.000 1.145 335 T CB -0.687 68.222 68.868 0.067 0.000 0.866 335 T HN 0.368 nan 8.240 nan 0.000 0.427 336 V N 2.588 122.517 119.914 0.024 0.000 2.490 336 V HA -0.137 3.984 4.120 0.000 0.000 0.250 336 V C 1.921 177.979 176.094 -0.060 0.000 1.061 336 V CA 1.654 63.958 62.300 0.007 0.000 1.064 336 V CB -0.665 31.183 31.823 0.040 0.000 0.670 336 V HN 0.417 nan 8.190 nan 0.000 0.461 337 N N 0.744 119.386 118.700 -0.097 0.000 2.453 337 N HA -0.131 4.609 4.740 0.000 0.000 0.183 337 N C 1.583 177.012 175.510 -0.135 0.000 1.041 337 N CA 1.713 54.661 53.050 -0.169 0.000 0.900 337 N CB 0.035 38.420 38.487 -0.170 0.000 0.961 337 N HN 0.926 nan 8.380 nan 0.000 0.443 338 E N -1.180 118.974 120.200 -0.076 0.000 2.421 338 E HA 0.074 4.425 4.350 0.000 0.000 0.209 338 E C 1.391 177.968 176.600 -0.039 0.000 0.871 338 E CA -0.158 56.202 56.400 -0.066 0.000 1.064 338 E CB -0.215 29.459 29.700 -0.044 0.000 1.075 338 E HN -0.054 nan 8.360 nan 0.000 0.513 339 L N 1.135 122.346 121.223 -0.019 0.000 2.307 339 L HA 0.279 4.620 4.340 0.000 0.000 0.211 339 L C 2.215 179.092 176.870 0.011 0.000 1.099 339 L CA 1.296 56.138 54.840 0.004 0.000 0.816 339 L CB -0.040 42.031 42.059 0.020 0.000 0.952 339 L HN 0.316 nan 8.230 nan 0.000 0.455 340 A N 0.779 123.600 122.820 0.003 0.000 1.843 340 A HA 0.031 4.351 4.320 0.000 0.000 0.213 340 A C -0.425 177.166 177.584 0.011 0.000 1.202 340 A CA 1.291 53.345 52.037 0.028 0.000 0.607 340 A CB -1.819 17.216 19.000 0.058 0.000 0.847 340 A HN 0.338 nan 8.150 nan 0.000 0.445 341 P HA -0.015 nan 4.420 nan 0.000 0.234 341 P C 1.131 178.409 177.300 -0.036 0.000 1.167 341 P CA 1.467 64.526 63.100 -0.069 0.000 0.763 341 P CB 0.033 31.647 31.700 -0.143 0.000 0.835 342 A N 0.547 123.360 122.820 -0.013 0.000 1.935 342 A HA -0.033 4.287 4.320 0.000 0.000 0.214 342 A C 2.285 179.888 177.584 0.031 0.000 1.178 342 A CA 1.500 53.541 52.037 0.008 0.000 0.640 342 A CB -1.366 17.637 19.000 0.005 0.000 0.825 342 A HN 0.182 nan 8.150 nan 0.000 0.447 343 V N -0.851 119.086 119.914 0.037 0.000 2.649 343 V HA -0.092 4.029 4.120 0.000 0.000 0.248 343 V C 2.190 178.320 176.094 0.060 0.000 1.054 343 V CA 1.781 64.111 62.300 0.049 0.000 1.073 343 V CB -0.998 30.858 31.823 0.055 0.000 0.699 343 V HN 0.483 nan 8.190 nan 0.000 0.463 344 V N -0.831 119.122 119.914 0.065 0.000 2.667 344 V HA -0.130 3.990 4.120 0.000 0.000 0.252 344 V C 2.342 178.518 176.094 0.136 0.000 1.065 344 V CA 2.311 64.667 62.300 0.093 0.000 1.083 344 V CB -1.267 30.613 31.823 0.095 0.000 0.692 344 V HN 0.601 nan 8.190 nan 0.000 0.468 345 D N 0.633 121.112 120.400 0.132 0.000 2.183 345 D HA -0.142 4.499 4.640 0.000 0.000 0.203 345 D C 1.767 178.120 176.300 0.090 0.000 0.969 345 D CA 1.249 55.351 54.000 0.171 0.000 0.842 345 D CB -0.068 40.821 40.800 0.149 0.000 0.957 345 D HN 0.447 nan 8.370 nan 0.000 0.484 346 D N -0.978 119.460 120.400 0.062 0.000 2.213 346 D HA -0.047 4.594 4.640 0.000 0.000 0.205 346 D C 2.002 178.318 176.300 0.027 0.000 0.961 346 D CA 0.405 54.428 54.000 0.039 0.000 0.853 346 D CB -0.288 40.535 40.800 0.038 0.000 0.967 346 D HN 0.311 nan 8.370 nan 0.000 0.496 347 C N 0.493 119.813 119.300 0.034 0.000 2.435 347 C HA -0.024 4.436 4.460 0.000 0.000 0.279 347 C C 2.646 177.615 174.990 -0.035 0.000 1.321 347 C CA -0.084 58.943 59.018 0.015 0.000 1.752 347 C CB -0.866 26.893 27.740 0.033 0.000 1.959 347 C HN 0.255 nan 8.230 nan 0.000 0.500 348 L N 1.922 123.135 121.223 -0.016 0.000 2.023 348 L HA -0.066 4.274 4.340 0.000 0.000 0.205 348 L C 2.690 179.505 176.870 -0.092 0.000 1.073 348 L CA 2.338 57.136 54.840 -0.070 0.000 0.745 348 L CB -0.534 41.513 42.059 -0.019 0.000 0.900 348 L HN 0.388 nan 8.230 nan 0.000 0.435 349 S N -1.659 114.013 115.700 -0.047 0.000 2.607 349 S HA -0.062 4.408 4.470 0.000 0.000 0.224 349 S C 1.638 176.214 174.600 -0.041 0.000 0.969 349 S CA 0.530 58.701 58.200 -0.049 0.000 0.927 349 S CB -0.349 62.837 63.200 -0.024 0.000 0.772 349 S HN 0.293 nan 8.310 nan 0.000 0.533 350 L N 0.674 121.870 121.223 -0.045 0.000 2.357 350 L HA 0.395 4.735 4.340 0.000 0.000 0.211 350 L C 2.108 178.943 176.870 -0.058 0.000 1.075 350 L CA 0.860 55.691 54.840 -0.015 0.000 0.830 350 L CB -0.075 41.995 42.059 0.017 0.000 0.996 350 L HN 0.196 nan 8.230 nan 0.000 0.467 351 V N -0.298 119.488 119.914 -0.214 0.000 2.878 351 V HA 0.418 4.538 4.120 0.000 0.000 0.250 351 V C 1.247 177.099 176.094 -0.404 0.000 1.075 351 V CA 0.745 62.709 62.300 -0.559 0.000 1.096 351 V CB -0.871 30.510 31.823 -0.737 0.000 0.724 351 V HN 0.635 nan 8.190 nan 0.000 0.467 352 G N -0.408 108.261 108.800 -0.217 0.000 2.610 352 G HA2 -0.011 3.949 3.960 0.000 0.000 0.304 352 G HA3 -0.011 3.949 3.960 0.000 0.000 0.304 352 G C 0.677 175.502 174.900 -0.125 0.000 1.309 352 G CA -0.268 44.756 45.100 -0.128 0.000 0.906 352 G HN 0.625 nan 8.290 nan 0.000 0.521 353 G N -0.667 108.091 108.800 -0.070 0.000 2.485 353 G HA2 0.262 4.222 3.960 0.000 0.000 0.221 353 G HA3 0.262 4.222 3.960 0.000 0.000 0.221 353 G C 2.395 177.302 174.900 0.012 0.000 1.115 353 G CA 3.325 48.404 45.100 -0.033 0.000 0.751 353 G HN 2.190 nan 8.290 nan 0.000 0.567 354 L N 0.044 121.264 121.223 -0.005 0.000 2.265 354 L HA 0.519 4.859 4.340 0.000 0.000 0.215 354 L C 2.920 179.810 176.870 0.033 0.000 1.117 354 L CA 2.436 57.313 54.840 0.061 0.000 0.782 354 L CB -1.350 40.776 42.059 0.112 0.000 0.914 354 L HN 0.507 nan 8.230 nan 0.000 0.441 355 A N -3.186 119.506 122.820 -0.213 0.000 2.238 355 A HA 0.123 4.443 4.320 0.000 0.000 0.208 355 A C 1.925 179.405 177.584 -0.174 0.000 1.177 355 A CA 0.621 52.354 52.037 -0.506 0.000 0.804 355 A CB -0.547 18.073 19.000 -0.633 0.000 0.823 355 A HN 0.815 nan 8.150 nan 0.000 0.482 356 Y N -0.031 120.163 120.300 -0.175 0.000 2.478 356 Y HA 0.187 4.737 4.550 0.000 0.000 0.261 356 Y C 1.252 177.108 175.900 -0.072 0.000 1.127 356 Y CA 0.557 58.571 58.100 -0.143 0.000 1.288 356 Y CB -0.051 38.331 38.460 -0.130 0.000 1.084 356 Y HN 0.152 nan 8.280 nan 0.000 0.530 357 T N 0.241 114.782 114.554 -0.022 0.000 2.901 357 T HA 0.334 4.685 4.350 0.000 0.000 0.301 357 T C 1.439 176.103 174.700 -0.061 0.000 1.012 357 T CA 0.257 62.338 62.100 -0.032 0.000 1.135 357 T CB 1.083 69.983 68.868 0.053 0.000 0.936 357 T HN 0.416 nan 8.240 nan 0.000 0.539 358 A N 4.229 126.993 122.820 -0.093 0.000 2.076 358 A HA 0.075 4.395 4.320 0.000 0.000 0.220 358 A C 2.365 179.944 177.584 -0.007 0.000 1.160 358 A CA 1.879 53.875 52.037 -0.067 0.000 0.653 358 A CB -1.044 17.916 19.000 -0.067 0.000 0.801 358 A HN 0.982 nan 8.150 nan 0.000 0.455 359 G N -1.661 107.145 108.800 0.010 0.000 2.422 359 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 359 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 359 G C 0.852 175.776 174.900 0.040 0.000 1.140 359 G CA 0.535 45.646 45.100 0.018 0.000 0.775 359 G HN 0.624 nan 8.290 nan 0.000 0.545 360 H N 1.599 120.657 119.070 -0.021 0.000 2.764 360 H HA 0.135 4.691 4.556 0.000 0.000 0.341 360 H C -1.074 174.249 175.328 -0.008 0.000 1.072 360 H CA -1.677 54.362 56.048 -0.014 0.000 1.444 360 H CB 2.085 31.829 29.762 -0.029 0.000 1.458 360 H HN 0.036 nan 8.280 nan 0.000 0.572 361 P HA -0.145 nan 4.420 nan 0.000 0.221 361 P C 1.620 179.039 177.300 0.198 0.000 1.150 361 P CA 0.414 63.624 63.100 0.184 0.000 0.800 361 P CB 0.462 32.234 31.700 0.119 0.000 0.787 362 L N 0.192 121.578 121.223 0.272 0.000 2.362 362 L HA -0.044 4.296 4.340 0.000 0.000 0.219 362 L C 2.661 179.552 176.870 0.035 0.000 1.134 362 L CA 1.453 56.326 54.840 0.056 0.000 0.807 362 L CB -1.302 40.637 42.059 -0.199 0.000 0.927 362 L HN -0.013 nan 8.230 nan 0.000 0.447 363 S N -0.803 114.916 115.700 0.031 0.000 2.362 363 S HA -0.178 4.293 4.470 0.000 0.000 0.221 363 S C 2.289 176.941 174.600 0.086 0.000 1.032 363 S CA 0.958 59.159 58.200 0.003 0.000 0.973 363 S CB -0.182 62.980 63.200 -0.063 0.000 0.849 363 S HN 0.512 nan 8.310 nan 0.000 0.465 364 R N 0.584 121.136 120.500 0.086 0.000 2.080 364 R HA -0.001 4.339 4.340 0.000 0.000 0.236 364 R C 2.332 178.707 176.300 0.125 0.000 1.137 364 R CA 1.809 57.967 56.100 0.096 0.000 0.943 364 R CB -0.595 29.753 30.300 0.081 0.000 0.846 364 R HN 0.471 nan 8.270 nan 0.000 0.431 365 L N -0.213 121.085 121.223 0.125 0.000 2.127 365 L HA -0.226 4.114 4.340 0.000 0.000 0.211 365 L C 2.413 179.372 176.870 0.148 0.000 1.089 365 L CA 1.421 56.335 54.840 0.123 0.000 0.757 365 L CB -0.655 41.470 42.059 0.111 0.000 0.899 365 L HN 0.336 nan 8.230 nan 0.000 0.434 366 Y N 0.872 121.199 120.300 0.046 0.000 2.421 366 Y HA -0.175 4.375 4.550 0.000 0.000 0.292 366 Y C 2.554 178.493 175.900 0.065 0.000 1.136 366 Y CA 1.324 59.453 58.100 0.048 0.000 1.255 366 Y CB -0.067 38.412 38.460 0.031 0.000 0.991 366 Y HN 0.028 nan 8.280 nan 0.000 0.552 367 R N -0.891 119.719 120.500 0.183 0.000 2.156 367 R HA -0.000 4.340 4.340 0.000 0.000 0.207 367 R C 1.409 177.779 176.300 0.116 0.000 1.040 367 R CA 1.015 57.194 56.100 0.132 0.000 1.013 367 R CB -0.067 30.325 30.300 0.153 0.000 0.931 367 R HN 0.234 nan 8.270 nan 0.000 0.465 368 D N 0.494 120.970 120.400 0.128 0.000 2.144 368 D HA -0.118 4.522 4.640 0.000 0.000 0.200 368 D C 1.749 178.170 176.300 0.202 0.000 0.978 368 D CA 0.660 54.753 54.000 0.155 0.000 0.833 368 D CB 0.021 40.894 40.800 0.120 0.000 0.961 368 D HN -0.088 nan 8.370 nan 0.000 0.470 369 V N 0.579 120.583 119.914 0.150 0.000 2.490 369 V HA -0.157 3.964 4.120 0.000 0.000 0.250 369 V C 1.968 178.125 176.094 0.104 0.000 1.061 369 V CA 1.450 63.864 62.300 0.190 0.000 1.064 369 V CB -0.195 31.665 31.823 0.062 0.000 0.670 369 V HN 0.143 nan 8.190 nan 0.000 0.461 370 R N -0.336 120.175 120.500 0.019 0.000 2.339 370 R HA 0.071 4.411 4.340 0.000 0.000 0.199 370 R C 2.084 178.422 176.300 0.063 0.000 1.018 370 R CA 0.901 56.975 56.100 -0.043 0.000 1.036 370 R CB -0.546 29.737 30.300 -0.028 0.000 0.899 370 R HN 0.624 nan 8.270 nan 0.000 0.473 371 A N 0.312 123.273 122.820 0.235 0.000 1.898 371 A HA -0.068 4.252 4.320 0.000 0.000 0.216 371 A C 2.324 180.018 177.584 0.183 0.000 1.181 371 A CA 1.634 53.895 52.037 0.374 0.000 0.620 371 A CB -0.888 18.375 19.000 0.438 0.000 0.819 371 A HN 0.388 nan 8.150 nan 0.000 0.442 372 G N -0.372 108.280 108.800 -0.247 0.000 2.469 372 G HA2 -0.084 3.877 3.960 0.000 0.000 0.220 372 G HA3 -0.084 3.877 3.960 0.000 0.000 0.220 372 G C 1.462 176.138 174.900 -0.373 0.000 1.136 372 G CA 1.279 45.980 45.100 -0.664 0.000 0.759 372 G HN 0.787 nan 8.290 nan 0.000 0.562 373 G N -0.163 108.372 108.800 -0.442 0.000 2.498 373 G HA2 -0.001 3.959 3.960 0.000 0.000 0.219 373 G HA3 -0.001 3.959 3.960 0.000 0.000 0.219 373 G C 1.273 175.937 174.900 -0.395 0.000 1.119 373 G CA 0.356 45.177 45.100 -0.465 0.000 0.766 373 G HN 0.472 nan 8.290 nan 0.000 0.552 374 F N -0.058 119.875 119.950 -0.029 0.000 2.695 374 F HA 0.440 4.967 4.527 0.001 0.000 0.303 374 F C 1.357 177.162 175.800 0.008 0.000 1.091 374 F CA -0.358 57.648 58.000 0.009 0.000 1.300 374 F CB 0.224 39.248 39.000 0.039 0.000 1.071 374 F HN -0.070 nan 8.300 nan 0.000 0.578 375 M N 1.651 121.333 119.600 0.138 0.000 2.180 375 M HA 0.207 4.687 4.480 0.000 0.000 0.358 375 M C -0.296 176.014 176.300 0.017 0.000 1.233 375 M CA -0.149 55.201 55.300 0.083 0.000 1.114 375 M CB 0.811 33.460 32.600 0.081 0.000 1.594 375 M HN -0.059 nan 8.290 nan 0.000 0.467 376 Q N 4.277 124.076 119.800 -0.003 0.000 2.230 376 Q HA 0.594 4.934 4.340 0.000 0.000 0.253 376 Q C -2.260 173.657 176.000 -0.139 0.000 0.919 376 Q CA -1.526 54.231 55.803 -0.076 0.000 0.908 376 Q CB 1.287 29.998 28.738 -0.045 0.000 1.245 376 Q HN 0.449 nan 8.270 nan 0.000 0.437 377 P HA 0.475 nan 4.420 nan 0.000 0.296 377 P C -1.412 175.501 177.300 -0.646 0.000 1.310 377 P CA -0.464 62.240 63.100 -0.660 0.000 0.900 377 P CB 1.154 32.045 31.700 -1.348 0.000 1.111 378 Y N -0.886 119.193 120.300 -0.368 0.000 2.570 378 Y HA 0.392 4.942 4.550 0.000 0.000 0.345 378 Y C 1.213 177.010 175.900 -0.172 0.000 1.014 378 Y CA -0.629 57.322 58.100 -0.249 0.000 1.063 378 Y CB 2.119 40.402 38.460 -0.295 0.000 1.272 378 Y HN 0.318 nan 8.280 nan 0.000 0.477 379 S N 0.269 116.030 115.700 0.101 0.000 2.608 379 S HA 0.014 4.484 4.470 0.000 0.000 0.261 379 S C 0.980 175.604 174.600 0.039 0.000 1.314 379 S CA -0.184 58.053 58.200 0.061 0.000 0.992 379 S CB 0.212 63.464 63.200 0.088 0.000 0.935 379 S HN 0.666 nan 8.310 nan 0.000 0.564 380 Y N 2.832 123.103 120.300 -0.049 0.000 2.097 380 Y HA -0.146 4.405 4.550 0.000 0.000 0.282 380 Y C 2.006 177.880 175.900 -0.042 0.000 1.152 380 Y CA 2.405 60.472 58.100 -0.055 0.000 1.136 380 Y CB -0.937 37.483 38.460 -0.066 0.000 0.975 380 Y HN 0.411 nan 8.280 nan 0.000 0.498 381 V N 1.032 120.971 119.914 0.042 0.000 2.282 381 V HA -0.366 3.754 4.120 0.000 0.000 0.249 381 V C 2.090 178.091 176.094 -0.156 0.000 1.057 381 V CA 2.321 64.597 62.300 -0.040 0.000 1.032 381 V CB -0.707 31.155 31.823 0.065 0.000 0.645 381 V HN 0.502 nan 8.190 nan 0.000 0.447 382 D N 0.362 120.690 120.400 -0.120 0.000 2.120 382 D HA -0.055 4.585 4.640 0.000 0.000 0.202 382 D C 2.290 178.399 176.300 -0.319 0.000 0.972 382 D CA 1.517 55.402 54.000 -0.191 0.000 0.837 382 D CB -0.221 40.523 40.800 -0.093 0.000 0.989 382 D HN 0.443 nan 8.370 nan 0.000 0.469 383 A N 1.256 123.927 122.820 -0.249 0.000 1.986 383 A HA -0.163 4.158 4.320 0.000 0.000 0.220 383 A C 2.401 179.827 177.584 -0.265 0.000 1.171 383 A CA 1.259 53.153 52.037 -0.238 0.000 0.640 383 A CB -0.832 18.069 19.000 -0.165 0.000 0.811 383 A HN 0.190 nan 8.150 nan 0.000 0.451 384 V N 0.117 119.803 119.914 -0.381 0.000 2.358 384 V HA -0.222 3.898 4.120 0.000 0.000 0.246 384 V C 1.974 177.926 176.094 -0.237 0.000 1.047 384 V CA 2.838 64.923 62.300 -0.358 0.000 1.035 384 V CB -0.613 30.918 31.823 -0.487 0.000 0.658 384 V HN 0.616 nan 8.190 nan 0.000 0.452 385 D N -1.334 118.930 120.400 -0.226 0.000 2.117 385 D HA -0.192 4.449 4.640 0.000 0.000 0.197 385 D C 1.856 178.032 176.300 -0.206 0.000 0.987 385 D CA 1.870 55.758 54.000 -0.188 0.000 0.829 385 D CB -0.308 40.389 40.800 -0.172 0.000 0.961 385 D HN 0.668 nan 8.370 nan 0.000 0.460 386 Y N 0.755 120.836 120.300 -0.366 0.000 2.070 386 Y HA -0.207 4.343 4.550 0.000 0.000 0.280 386 Y C 1.908 177.653 175.900 -0.258 0.000 1.148 386 Y CA 1.293 59.172 58.100 -0.368 0.000 1.125 386 Y CB -0.418 37.702 38.460 -0.567 0.000 0.975 386 Y HN -0.090 nan 8.280 nan 0.000 0.492 387 L N 0.214 121.325 121.223 -0.186 0.000 2.083 387 L HA -0.207 4.133 4.340 0.000 0.000 0.209 387 L C 2.723 179.467 176.870 -0.211 0.000 1.083 387 L CA 2.153 56.856 54.840 -0.229 0.000 0.752 387 L CB -1.073 40.892 42.059 -0.156 0.000 0.899 387 L HN 0.468 nan 8.230 nan 0.000 0.433 388 S N -1.793 113.799 115.700 -0.181 0.000 2.436 388 S HA -0.019 4.451 4.470 0.000 0.000 0.228 388 S C 2.077 176.580 174.600 -0.162 0.000 1.014 388 S CA 0.595 58.714 58.200 -0.134 0.000 0.950 388 S CB -0.936 62.198 63.200 -0.110 0.000 0.784 388 S HN 0.377 nan 8.310 nan 0.000 0.504 389 G N 1.032 109.693 108.800 -0.233 0.000 2.448 389 G HA2 -0.068 3.893 3.960 0.000 0.000 0.218 389 G HA3 -0.068 3.893 3.960 0.000 0.000 0.218 389 G C 1.604 176.353 174.900 -0.252 0.000 1.135 389 G CA 0.298 45.259 45.100 -0.232 0.000 0.784 389 G HN 0.419 nan 8.290 nan 0.000 0.543 390 Q N 0.249 119.848 119.800 -0.335 0.000 2.212 390 Q HA 0.180 4.521 4.340 0.000 0.000 0.199 390 Q C 2.827 178.745 176.000 -0.136 0.000 0.950 390 Q CA 0.995 56.634 55.803 -0.274 0.000 0.863 390 Q CB -0.247 28.268 28.738 -0.371 0.000 0.944 390 Q HN 0.436 nan 8.270 nan 0.000 0.465 391 A N 0.261 123.016 122.820 -0.109 0.000 2.066 391 A HA 0.061 4.381 4.320 0.000 0.000 0.218 391 A C 1.419 178.974 177.584 -0.049 0.000 1.157 391 A CA 0.718 52.728 52.037 -0.044 0.000 0.670 391 A CB -0.040 18.949 19.000 -0.018 0.000 0.804 391 A HN 0.180 nan 8.150 nan 0.000 0.453 392 L N -3.710 117.470 121.223 -0.071 0.000 2.670 392 L HA 0.528 4.869 4.340 0.000 0.000 0.251 392 L C 2.024 178.856 176.870 -0.064 0.000 1.548 392 L CA -0.305 54.500 54.840 -0.059 0.000 1.643 392 L CB -0.183 41.840 42.059 -0.060 0.000 2.174 392 L HN 0.199 nan 8.230 nan 0.000 0.585 393 G N -0.637 108.129 108.800 -0.057 0.000 2.658 393 G HA2 0.192 4.152 3.960 0.000 0.000 0.217 393 G HA3 0.192 4.152 3.960 0.000 0.000 0.217 393 G C 0.283 175.143 174.900 -0.067 0.000 1.319 393 G CA 0.066 45.134 45.100 -0.054 0.000 0.885 393 G HN 0.262 nan 8.290 nan 0.000 0.553 394 L N 0.000 121.185 121.223 -0.064 0.000 2.949 394 L HA 0.000 4.340 4.340 0.000 0.000 0.249 394 L CA 0.000 54.798 54.840 -0.070 0.000 0.813 394 L CB 0.000 42.005 42.059 -0.089 0.000 0.961 394 L HN 0.000 nan 8.230 nan 0.000 0.502